--- _id: '60565' article_number: '104103' author: - first_name: Adriana full_name: Bocchini, Adriana id: '58349' last_name: Bocchini orcid: 0000-0002-2134-3075 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Bocchini A, Gerstmann U, Schmidt WG. Microscopic origin of gray tracks in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>KTiOPO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>. Physical Review B. 2025;111(10). doi:10.1103/physrevb.111.104103 apa: Bocchini, A., Gerstmann, U., & Schmidt, W. G. (2025). Microscopic origin of gray tracks in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>KTiOPO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>. Physical Review B, 111(10), Article 104103. https://doi.org/10.1103/physrevb.111.104103 bibtex: '@article{Bocchini_Gerstmann_Schmidt_2025, title={Microscopic origin of gray tracks in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>KTiOPO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>}, volume={111}, DOI={10.1103/physrevb.111.104103}, number={10104103}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Bocchini, Adriana and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2025} }' chicago: Bocchini, Adriana, Uwe Gerstmann, and Wolf Gero Schmidt. “Microscopic Origin of Gray Tracks in <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"><mml:Msub><mml:Mi>KTiOPO</Mml:Mi><mml:Mn>4</Mml:Mn></Mml:Msub></Mml:Math>.” Physical Review B 111, no. 10 (2025). https://doi.org/10.1103/physrevb.111.104103. ieee: 'A. Bocchini, U. Gerstmann, and W. G. Schmidt, “Microscopic origin of gray tracks in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>KTiOPO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>,” Physical Review B, vol. 111, no. 10, Art. no. 104103, 2025, doi: 10.1103/physrevb.111.104103.' mla: Bocchini, Adriana, et al. “Microscopic Origin of Gray Tracks in <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"><mml:Msub><mml:Mi>KTiOPO</Mml:Mi><mml:Mn>4</Mml:Mn></Mml:Msub></Mml:Math>.” Physical Review B, vol. 111, no. 10, 104103, American Physical Society (APS), 2025, doi:10.1103/physrevb.111.104103. short: A. Bocchini, U. Gerstmann, W.G. Schmidt, Physical Review B 111 (2025). date_created: 2025-07-09T08:58:32Z date_updated: 2025-07-09T09:30:31Z department: - _id: '15' - _id: '295' - _id: '790' - _id: '230' - _id: '429' - _id: '35' - _id: '170' - _id: '27' doi: 10.1103/physrevb.111.104103 intvolume: ' 111' issue: '10' language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' - _id: '53' grant_number: '231447078' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '168' grant_number: '231447078' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)' - _id: '166' name: 'TRR 142 - A11: TRR 142 - Subproject A11' publication: Physical Review B publication_identifier: issn: - 2469-9950 - 2469-9969 publication_status: published publisher: American Physical Society (APS) status: public title: Microscopic origin of gray tracks in KTiOPO4 type: journal_article user_id: '16199' volume: 111 year: '2025' ... --- _id: '60580' abstract: - lang: eng text: AbstractAlInP (001) is widely utilized as a window layer in optoelectronic devices, including world‐record III‐V multi‐junction solar cells and photoelectrochemical (PEC) cells. The chemical and electronic properties of AlInP (001) depend on its surface reconstruction, which impacts its interaction with electrolytes in PEC applications and passivation layers. This study investigates AlInP (001) surface reconstructions using density functional theory and experimental methods. Phosphorus‐rich (P‐rich) and indium‐rich (In‐rich) AlInP surfaces are prepared with in situ monitoring of the process by reflection anisotropy (RA) spectroscopy and confirmed by low‐energy electron diffraction and photoemission spectroscopy. The experimental RA spectra closely match the theoretical predictions obtained by solving the Bethe–Salpeter equation. It is shown that missing hydrogen on P‐rich surfaces and formation of In–In 1D atomic chains on In‐rich surfaces introduce mid‐gap surface states that pin the Fermi level and induce band bending. Time‐resolved two‐photon photoemission measurements reveal ultrafast near‐surface electron dynamics for both P‐rich and In‐rich surfaces, demonstrating photoexcited electrons reaching the surface conduction band minimum and relaxing to mid‐gap surface states on about hundreds of fs. This work provides the most extensive AlInP surface analysis to date, allowing for more targeted surface and interface engineering, which is crucial for the optimization and design of III‐V heterostructures. author: - first_name: Mohammad Amin full_name: Zare Pour, Mohammad Amin last_name: Zare Pour - first_name: Sahar full_name: Shekarabi, Sahar last_name: Shekarabi - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Jonathan full_name: Diederich, Jonathan last_name: Diederich - first_name: Yuyings full_name: Gao, Yuyings last_name: Gao - first_name: Agnieszka full_name: Paszuk, Agnieszka last_name: Paszuk - first_name: Dominik C. full_name: Moritz, Dominik C. last_name: Moritz - first_name: Wolfram full_name: Jaegermann, Wolfram last_name: Jaegermann - first_name: Dennis full_name: Friedrich, Dennis last_name: Friedrich - first_name: Roel full_name: van de Krol, Roel last_name: van de Krol - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Thomas full_name: Hannappel, Thomas last_name: Hannappel citation: ama: 'Zare Pour MA, Shekarabi S, Ruiz Alvarado IA, et al. Exploring Electronic States and Ultrafast Electron Dynamics in AlInP Window Layers: The Role of Surface Reconstruction. Advanced Functional Materials. Published online 2025. doi:10.1002/adfm.202423702' apa: 'Zare Pour, M. A., Shekarabi, S., Ruiz Alvarado, I. A., Diederich, J., Gao, Y., Paszuk, A., Moritz, D. C., Jaegermann, W., Friedrich, D., van de Krol, R., Schmidt, W. G., & Hannappel, T. (2025). Exploring Electronic States and Ultrafast Electron Dynamics in AlInP Window Layers: The Role of Surface Reconstruction. Advanced Functional Materials. https://doi.org/10.1002/adfm.202423702' bibtex: '@article{Zare Pour_Shekarabi_Ruiz Alvarado_Diederich_Gao_Paszuk_Moritz_Jaegermann_Friedrich_van de Krol_et al._2025, title={Exploring Electronic States and Ultrafast Electron Dynamics in AlInP Window Layers: The Role of Surface Reconstruction}, DOI={10.1002/adfm.202423702}, journal={Advanced Functional Materials}, publisher={Wiley}, author={Zare Pour, Mohammad Amin and Shekarabi, Sahar and Ruiz Alvarado, Isaac Azahel and Diederich, Jonathan and Gao, Yuyings and Paszuk, Agnieszka and Moritz, Dominik C. and Jaegermann, Wolfram and Friedrich, Dennis and van de Krol, Roel and et al.}, year={2025} }' chicago: 'Zare Pour, Mohammad Amin, Sahar Shekarabi, Isaac Azahel Ruiz Alvarado, Jonathan Diederich, Yuyings Gao, Agnieszka Paszuk, Dominik C. Moritz, et al. “Exploring Electronic States and Ultrafast Electron Dynamics in AlInP Window Layers: The Role of Surface Reconstruction.” Advanced Functional Materials, 2025. https://doi.org/10.1002/adfm.202423702.' ieee: 'M. A. Zare Pour et al., “Exploring Electronic States and Ultrafast Electron Dynamics in AlInP Window Layers: The Role of Surface Reconstruction,” Advanced Functional Materials, 2025, doi: 10.1002/adfm.202423702.' mla: 'Zare Pour, Mohammad Amin, et al. “Exploring Electronic States and Ultrafast Electron Dynamics in AlInP Window Layers: The Role of Surface Reconstruction.” Advanced Functional Materials, Wiley, 2025, doi:10.1002/adfm.202423702.' short: M.A. Zare Pour, S. Shekarabi, I.A. Ruiz Alvarado, J. Diederich, Y. Gao, A. Paszuk, D.C. Moritz, W. Jaegermann, D. Friedrich, R. van de Krol, W.G. Schmidt, T. Hannappel, Advanced Functional Materials (2025). date_created: 2025-07-09T13:33:15Z date_updated: 2025-07-09T13:54:05Z department: - _id: '15' - _id: '170' - _id: '230' - _id: '27' - _id: '295' doi: 10.1002/adfm.202423702 language: - iso: eng publication: Advanced Functional Materials publication_identifier: issn: - 1616-301X - 1616-3028 publication_status: published publisher: Wiley status: public title: 'Exploring Electronic States and Ultrafast Electron Dynamics in AlInP Window Layers: The Role of Surface Reconstruction' type: journal_article user_id: '79462' year: '2025' ... --- _id: '58642' abstract: - lang: eng text: We present a cost-effective self-assembly method to fabricate low-density dimer NPs in an NPoM architecture, using the M13 phage as a spacer layer. This will enable the development of dynamic plasmonic devices and advanced sensing applications. article_type: original author: - first_name: Vasanthan full_name: Devaraj, Vasanthan id: '103814' last_name: Devaraj - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Jong-Min full_name: Lee, Jong-Min last_name: Lee - first_name: Jin-Woo full_name: Oh, Jin-Woo last_name: Oh - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Thomas full_name: Zentgraf, Thomas id: '30525' last_name: Zentgraf orcid: 0000-0002-8662-1101 citation: ama: Devaraj V, Ruiz Alvarado IA, Lee J-M, et al. Self-assembly of isolated plasmonic dimers with sub-5 nm gaps on a metallic mirror. Nanoscale Horizons. 2025;10:537-548. doi:10.1039/d4nh00546e apa: Devaraj, V., Ruiz Alvarado, I. A., Lee, J.-M., Oh, J.-W., Gerstmann, U., Schmidt, W. G., & Zentgraf, T. (2025). Self-assembly of isolated plasmonic dimers with sub-5 nm gaps on a metallic mirror. Nanoscale Horizons, 10, 537–548. https://doi.org/10.1039/d4nh00546e bibtex: '@article{Devaraj_Ruiz Alvarado_Lee_Oh_Gerstmann_Schmidt_Zentgraf_2025, title={Self-assembly of isolated plasmonic dimers with sub-5 nm gaps on a metallic mirror}, volume={10}, DOI={10.1039/d4nh00546e}, journal={Nanoscale Horizons}, publisher={Royal Society of Chemistry (RSC)}, author={Devaraj, Vasanthan and Ruiz Alvarado, Isaac Azahel and Lee, Jong-Min and Oh, Jin-Woo and Gerstmann, Uwe and Schmidt, Wolf Gero and Zentgraf, Thomas}, year={2025}, pages={537–548} }' chicago: 'Devaraj, Vasanthan, Isaac Azahel Ruiz Alvarado, Jong-Min Lee, Jin-Woo Oh, Uwe Gerstmann, Wolf Gero Schmidt, and Thomas Zentgraf. “Self-Assembly of Isolated Plasmonic Dimers with Sub-5 Nm Gaps on a Metallic Mirror.” Nanoscale Horizons 10 (2025): 537–48. https://doi.org/10.1039/d4nh00546e.' ieee: 'V. Devaraj et al., “Self-assembly of isolated plasmonic dimers with sub-5 nm gaps on a metallic mirror,” Nanoscale Horizons, vol. 10, pp. 537–548, 2025, doi: 10.1039/d4nh00546e.' mla: Devaraj, Vasanthan, et al. “Self-Assembly of Isolated Plasmonic Dimers with Sub-5 Nm Gaps on a Metallic Mirror.” Nanoscale Horizons, vol. 10, Royal Society of Chemistry (RSC), 2025, pp. 537–48, doi:10.1039/d4nh00546e. short: V. Devaraj, I.A. Ruiz Alvarado, J.-M. Lee, J.-W. Oh, U. Gerstmann, W.G. Schmidt, T. Zentgraf, Nanoscale Horizons 10 (2025) 537–548. date_created: 2025-02-14T08:13:10Z date_updated: 2025-07-09T14:04:39Z department: - _id: '15' - _id: '230' - _id: '289' - _id: '623' - _id: '35' - _id: '295' - _id: '170' - _id: '429' - _id: '27' doi: 10.1039/d4nh00546e intvolume: ' 10' language: - iso: eng page: 537-548 project: - _id: '53' grant_number: '231447078' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '168' grant_number: '231447078' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '445' grant_number: '367360193' name: Hochleistungsrechner Noctua in Paderborn - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Nanoscale Horizons publication_identifier: issn: - 2055-6756 - 2055-6764 publication_status: published publisher: Royal Society of Chemistry (RSC) quality_controlled: '1' status: public title: Self-assembly of isolated plasmonic dimers with sub-5 nm gaps on a metallic mirror type: journal_article user_id: '16199' volume: 10 year: '2025' ... --- _id: '61351' abstract: - lang: eng text: AbstractThe interaction of water molecules with semiconductor surfaces is relevant to various optoelectronic phenomena and physicochemical processes. Despite advances in fundamental understanding of water‐exposed surfaces, the detailed time‐ and energy‐resolved behavior of excited electrons remains largely unexplored. Here, the effects of water exposure on the near‐surface electron dynamics of phosphorus‐terminated p(2×2)/c(4×2)‐reconstructed indium phosphide (100) (P‐rich InP) are studied experimentally and matched to theoretical calculations. The P‐rich InP surface, consisting of H‐passivated P‐dimers, serves as a model for other P‐containing III‐V semiconductors such as gallium phosphide (GaP) or aluminum indium phosphide (AlInP). Electron dynamics near the surface are probed with femtosecond resolution using time‐resolved two‐photon photoemission (tr‐2PPE), a pump‐probe spectroscopic technique. Pulsed water exposure preserves electronic states and significantly increases lifetimes at the conduction band minimum (CBM). Density‐functional theory (DFT) calculations attribute these findings to suppression of surface vibrational modes in the top P‐layer by water exposure, reducing electronic transition probabilities of near‐band‐gap surface states. The results suggest that many near‐surface state lifetimes reported in ultra‐high vacuum may change significantly upon electrolyte exposure. These states may thus contribute more strongly to surface reactions than traditionally assumed. Demonstrating this effect for the technologically relevant P‐rich InP surface opens new opportunities in this underexplored area of surface electrochemistry. article_number: e00463 author: - first_name: Jonathan full_name: Diederich, Jonathan last_name: Diederich - first_name: Agnieszka full_name: Paszuk, Agnieszka last_name: Paszuk - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Marvin full_name: Krenz, Marvin last_name: Krenz - first_name: Mohammad Amin full_name: Zare Pour, Mohammad Amin last_name: Zare Pour - first_name: Diwakar Suresh full_name: Babu, Diwakar Suresh last_name: Babu - first_name: Jennifer full_name: Velazquez Rojas, Jennifer last_name: Velazquez Rojas - first_name: Christian full_name: Höhn, Christian last_name: Höhn - first_name: Yuying full_name: Gao, Yuying last_name: Gao - first_name: Klaus full_name: Schwarzburg, Klaus last_name: Schwarzburg - first_name: David full_name: Ostheimer, David last_name: Ostheimer - first_name: Rainer full_name: Eichberger, Rainer last_name: Eichberger - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Thomas full_name: Hannappel, Thomas last_name: Hannappel - first_name: Roel van full_name: de Krol, Roel van last_name: de Krol - first_name: Dennis full_name: Friedrich, Dennis last_name: Friedrich citation: ama: Diederich J, Paszuk A, Ruiz Alvarado IA, et al. Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface. Advanced Materials Interfaces. 2025;12(16). doi:10.1002/admi.202500463 apa: Diederich, J., Paszuk, A., Ruiz Alvarado, I. A., Krenz, M., Zare Pour, M. A., Babu, D. S., Velazquez Rojas, J., Höhn, C., Gao, Y., Schwarzburg, K., Ostheimer, D., Eichberger, R., Schmidt, W. G., Hannappel, T., de Krol, R. van, & Friedrich, D. (2025). Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface. Advanced Materials Interfaces, 12(16), Article e00463. https://doi.org/10.1002/admi.202500463 bibtex: '@article{Diederich_Paszuk_Ruiz Alvarado_Krenz_Zare Pour_Babu_Velazquez Rojas_Höhn_Gao_Schwarzburg_et al._2025, title={Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface}, volume={12}, DOI={10.1002/admi.202500463}, number={16e00463}, journal={Advanced Materials Interfaces}, publisher={Wiley}, author={Diederich, Jonathan and Paszuk, Agnieszka and Ruiz Alvarado, Isaac Azahel and Krenz, Marvin and Zare Pour, Mohammad Amin and Babu, Diwakar Suresh and Velazquez Rojas, Jennifer and Höhn, Christian and Gao, Yuying and Schwarzburg, Klaus and et al.}, year={2025} }' chicago: Diederich, Jonathan, Agnieszka Paszuk, Isaac Azahel Ruiz Alvarado, Marvin Krenz, Mohammad Amin Zare Pour, Diwakar Suresh Babu, Jennifer Velazquez Rojas, et al. “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface.” Advanced Materials Interfaces 12, no. 16 (2025). https://doi.org/10.1002/admi.202500463. ieee: 'J. Diederich et al., “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface,” Advanced Materials Interfaces, vol. 12, no. 16, Art. no. e00463, 2025, doi: 10.1002/admi.202500463.' mla: Diederich, Jonathan, et al. “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface.” Advanced Materials Interfaces, vol. 12, no. 16, e00463, Wiley, 2025, doi:10.1002/admi.202500463. short: J. Diederich, A. Paszuk, I.A. Ruiz Alvarado, M. Krenz, M.A. Zare Pour, D.S. Babu, J. Velazquez Rojas, C. Höhn, Y. Gao, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Advanced Materials Interfaces 12 (2025). date_created: 2025-09-18T11:03:16Z date_updated: 2025-09-18T11:06:59Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' - _id: '429' doi: 10.1002/admi.202500463 intvolume: ' 12' issue: '16' language: - iso: eng project: - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '55' name: TRR 142 - Project Area B - _id: '168' name: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*) - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Advanced Materials Interfaces publication_identifier: issn: - 2196-7350 - 2196-7350 publication_status: published publisher: Wiley status: public title: Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface type: journal_article user_id: '16199' volume: 12 year: '2025' ... --- _id: '61356' abstract: - lang: eng text: First-principles calculations reveal how topological defects in semiconducting carbon nanotubes trap triplet excitons and enable single-photon emission at telecom wavelengths, offering new insights into their potential for photonic devices. author: - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Biktagirov T, Gerstmann U, Schmidt WG. Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters. Nanoscale. 2025;17(11):6884-6891. doi:10.1039/d4nr03904a apa: Biktagirov, T., Gerstmann, U., & Schmidt, W. G. (2025). Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters. Nanoscale, 17(11), 6884–6891. https://doi.org/10.1039/d4nr03904a bibtex: '@article{Biktagirov_Gerstmann_Schmidt_2025, title={Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters}, volume={17}, DOI={10.1039/d4nr03904a}, number={11}, journal={Nanoscale}, publisher={Royal Society of Chemistry (RSC)}, author={Biktagirov, Timur and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2025}, pages={6884–6891} }' chicago: 'Biktagirov, Timur, Uwe Gerstmann, and Wolf Gero Schmidt. “Topological Defects in Semiconducting Carbon Nanotubes as Triplet Exciton Traps and Single-Photon Emitters.” Nanoscale 17, no. 11 (2025): 6884–91. https://doi.org/10.1039/d4nr03904a.' ieee: 'T. Biktagirov, U. Gerstmann, and W. G. Schmidt, “Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters,” Nanoscale, vol. 17, no. 11, pp. 6884–6891, 2025, doi: 10.1039/d4nr03904a.' mla: Biktagirov, Timur, et al. “Topological Defects in Semiconducting Carbon Nanotubes as Triplet Exciton Traps and Single-Photon Emitters.” Nanoscale, vol. 17, no. 11, Royal Society of Chemistry (RSC), 2025, pp. 6884–91, doi:10.1039/d4nr03904a. short: T. Biktagirov, U. Gerstmann, W.G. Schmidt, Nanoscale 17 (2025) 6884–6891. date_created: 2025-09-18T11:23:25Z date_updated: 2025-09-18T11:26:23Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '35' - _id: '230' - _id: '27' - _id: '429' doi: 10.1039/d4nr03904a intvolume: ' 17' issue: '11' language: - iso: eng page: 6884-6891 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: TRR 142 - Project Area A - _id: '55' name: TRR 142 - Project Area B - _id: '168' name: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*) - _id: '166' name: TRR 142 - Subproject A11 publication: Nanoscale publication_identifier: issn: - 2040-3364 - 2040-3372 publication_status: published publisher: Royal Society of Chemistry (RSC) status: public title: Topological defects in semiconducting carbon nanotubes as triplet exciton traps and single-photon emitters type: journal_article user_id: '16199' volume: 17 year: '2025' ... --- _id: '60568' article_number: '122776' author: - first_name: Adriana full_name: Bocchini, Adriana id: '58349' last_name: Bocchini orcid: 0000-0002-2134-3075 - first_name: S. full_name: Kollmann, S. last_name: Kollmann - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Guido full_name: Grundmeier, Guido id: '194' last_name: Grundmeier citation: ama: Bocchini A, Kollmann S, Gerstmann U, Schmidt WG, Grundmeier G. Phosphonic acid adsorption on <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si23.svg" display="inline" id="d1e564"><mml:mi>α</mml:mi></mml:math>-Bi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg" display="inline" id="d1e569"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg" display="inline" id="d1e577"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> surfaces. Surface Science. 2025;760. doi:10.1016/j.susc.2025.122776 apa: Bocchini, A., Kollmann, S., Gerstmann, U., Schmidt, W. G., & Grundmeier, G. (2025). Phosphonic acid adsorption on <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si23.svg" display="inline" id="d1e564"><mml:mi>α</mml:mi></mml:math>-Bi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg" display="inline" id="d1e569"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg" display="inline" id="d1e577"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> surfaces. Surface Science, 760, Article 122776. https://doi.org/10.1016/j.susc.2025.122776 bibtex: '@article{Bocchini_Kollmann_Gerstmann_Schmidt_Grundmeier_2025, title={Phosphonic acid adsorption on <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si23.svg" display="inline" id="d1e564"><mml:mi>α</mml:mi></mml:math>-Bi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg" display="inline" id="d1e569"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg" display="inline" id="d1e577"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> surfaces}, volume={760}, DOI={10.1016/j.susc.2025.122776}, number={122776}, journal={Surface Science}, publisher={Elsevier BV}, author={Bocchini, Adriana and Kollmann, S. and Gerstmann, Uwe and Schmidt, Wolf Gero and Grundmeier, Guido}, year={2025} }' chicago: Bocchini, Adriana, S. Kollmann, Uwe Gerstmann, Wolf Gero Schmidt, and Guido Grundmeier. “Phosphonic Acid Adsorption on <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si23.Svg" Display="inline" Id="d1e564"><mml:Mi>α</Mml:Mi></Mml:Math>-Bi<mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si24.Svg" Display="inline" Id="d1e569"><mml:Msub><mml:Mrow/><mml:Mrow><mml:Mn>2</Mml:Mn></Mml:Mrow></Mml:Msub></Mml:Math>O<mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si25.Svg" Display="inline" Id="d1e577"><mml:Msub><mml:Mrow/><mml:Mrow><mml:Mn>3</Mml:Mn></Mml:Mrow></Mml:Msub></Mml:Math> Surfaces.” Surface Science 760 (2025). https://doi.org/10.1016/j.susc.2025.122776. ieee: 'A. Bocchini, S. Kollmann, U. Gerstmann, W. G. Schmidt, and G. Grundmeier, “Phosphonic acid adsorption on <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si23.svg" display="inline" id="d1e564"><mml:mi>α</mml:mi></mml:math>-Bi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg" display="inline" id="d1e569"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg" display="inline" id="d1e577"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> surfaces,” Surface Science, vol. 760, Art. no. 122776, 2025, doi: 10.1016/j.susc.2025.122776.' mla: Bocchini, Adriana, et al. “Phosphonic Acid Adsorption on <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si23.Svg" Display="inline" Id="d1e564"><mml:Mi>α</Mml:Mi></Mml:Math>-Bi<mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si24.Svg" Display="inline" Id="d1e569"><mml:Msub><mml:Mrow/><mml:Mrow><mml:Mn>2</Mml:Mn></Mml:Mrow></Mml:Msub></Mml:Math>O<mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si25.Svg" Display="inline" Id="d1e577"><mml:Msub><mml:Mrow/><mml:Mrow><mml:Mn>3</Mml:Mn></Mml:Mrow></Mml:Msub></Mml:Math> Surfaces.” Surface Science, vol. 760, 122776, Elsevier BV, 2025, doi:10.1016/j.susc.2025.122776. short: A. Bocchini, S. Kollmann, U. Gerstmann, W.G. Schmidt, G. Grundmeier, Surface Science 760 (2025). date_created: 2025-07-09T09:23:04Z date_updated: 2025-12-05T13:34:10Z department: - _id: '15' - _id: '2' - _id: '230' - _id: '295' - _id: '790' - _id: '302' - _id: '429' - _id: '35' - _id: '170' - _id: '27' doi: 10.1016/j.susc.2025.122776 intvolume: ' 760' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1016/j.susc.2025.122776 oa: '1' project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' - _id: '53' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '168' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)' - _id: '166' name: 'TRR 142 - A11: TRR 142 - Subproject A11' publication: Surface Science publication_identifier: issn: - 0039-6028 publication_status: published publisher: Elsevier BV status: public title: Phosphonic acid adsorption on α-Bi2O3 surfaces type: journal_article user_id: '16199' volume: 760 year: '2025' ... --- _id: '61353' abstract: - lang: eng text: "Abstract\r\n Muonic hydrogen is an exotic atom where a muon instead of an electron is bound to a proton. The comparably high mass of the muon (≈ 207 · me\r\n \ ) has two important effects, (i) the reduced mass of the system becomes more important, and (ii) the muon is localized much closer to the nucleus. Thus, muonic hydrogen is not only excellently suitable for evaluating highly precise quantum electrodynamic (QED) calculations, but may also be used for assessing new approaches including finite nuclear size (FNS) effects to evaluate the proton structure and improve calculation schemes for the hyperfine splittings of many-particle systems, as e.g. to be implemented in density functional theory (DFT) software packages. Here, starting from Dirac’s equation we calculate the relativistic hyperfine splitting of the ground state and several excited states of muonic hydrogen analytically for different charge and magnetization models. The FNS related hyperfine shifts are compared with the differences between QED calculations and experimental measurements. This comparison also allows to unravel the role of the reduced mass, which is on one hand crucial in case of muonic atoms, but on the other hand is by no means well defined in relativistic quantum mechanics." article_number: '012001' author: - first_name: Katharina L. full_name: Franzke, Katharina L. last_name: Franzke - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: 'Franzke KL, Schmidt WG, Gerstmann U. Finite-size and relativistic effects onto hyperfine interaction of muonic hydrogen. Journal of Physics: Conference Series. 2025;3027(1). doi:10.1088/1742-6596/3027/1/012001' apa: 'Franzke, K. L., Schmidt, W. G., & Gerstmann, U. (2025). Finite-size and relativistic effects onto hyperfine interaction of muonic hydrogen. Journal of Physics: Conference Series, 3027(1), Article 012001. https://doi.org/10.1088/1742-6596/3027/1/012001' bibtex: '@article{Franzke_Schmidt_Gerstmann_2025, title={Finite-size and relativistic effects onto hyperfine interaction of muonic hydrogen}, volume={3027}, DOI={10.1088/1742-6596/3027/1/012001}, number={1012001}, journal={Journal of Physics: Conference Series}, publisher={IOP Publishing}, author={Franzke, Katharina L. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2025} }' chicago: 'Franzke, Katharina L., Wolf Gero Schmidt, and Uwe Gerstmann. “Finite-Size and Relativistic Effects onto Hyperfine Interaction of Muonic Hydrogen.” Journal of Physics: Conference Series 3027, no. 1 (2025). https://doi.org/10.1088/1742-6596/3027/1/012001.' ieee: 'K. L. Franzke, W. G. Schmidt, and U. Gerstmann, “Finite-size and relativistic effects onto hyperfine interaction of muonic hydrogen,” Journal of Physics: Conference Series, vol. 3027, no. 1, Art. no. 012001, 2025, doi: 10.1088/1742-6596/3027/1/012001.' mla: 'Franzke, Katharina L., et al. “Finite-Size and Relativistic Effects onto Hyperfine Interaction of Muonic Hydrogen.” Journal of Physics: Conference Series, vol. 3027, no. 1, 012001, IOP Publishing, 2025, doi:10.1088/1742-6596/3027/1/012001.' short: 'K.L. Franzke, W.G. Schmidt, U. Gerstmann, Journal of Physics: Conference Series 3027 (2025).' date_created: 2025-09-18T11:17:05Z date_updated: 2025-12-05T13:32:45Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '429' - _id: '27' - _id: '790' doi: 10.1088/1742-6596/3027/1/012001 intvolume: ' 3027' issue: '1' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: TRR 142 - Project Area A - _id: '166' name: TRR 142 - Subproject A11 publication: 'Journal of Physics: Conference Series' publication_identifier: issn: - 1742-6588 - 1742-6596 publication_status: published publisher: IOP Publishing status: public title: Finite-size and relativistic effects onto hyperfine interaction of muonic hydrogen type: journal_article user_id: '16199' volume: 3027 year: '2025' ... --- _id: '61352' author: - first_name: Vasanthan full_name: Devaraj, Vasanthan id: '103814' last_name: Devaraj - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Jongmin full_name: Lee, Jongmin last_name: Lee - first_name: Jin-Woo full_name: Oh, Jin-Woo last_name: Oh - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Thomas full_name: Zentgraf, Thomas id: '30525' last_name: Zentgraf orcid: 0000-0002-8662-1101 citation: ama: 'Devaraj V, Ruiz Alvarado IA, Lee J, et al. Dynamic and Reversible Plasmonic Nanogaps From Isolated Dimer Nanoparticles via Self-Assembly. In: 2025 Conference on Lasers and Electro-Optics Europe &amp;Amp; European Quantum Electronics Conference (CLEO/Europe-EQEC). IEEE; 2025. doi:10.1109/cleo/europe-eqec65582.2025.11109762' apa: Devaraj, V., Ruiz Alvarado, I. A., Lee, J., Oh, J.-W., Gerstmann, U., Schmidt, W. G., & Zentgraf, T. (2025). Dynamic and Reversible Plasmonic Nanogaps From Isolated Dimer Nanoparticles via Self-Assembly. 2025 Conference on Lasers and Electro-Optics Europe &amp;Amp; European Quantum Electronics Conference (CLEO/Europe-EQEC). https://doi.org/10.1109/cleo/europe-eqec65582.2025.11109762 bibtex: '@inproceedings{Devaraj_Ruiz Alvarado_Lee_Oh_Gerstmann_Schmidt_Zentgraf_2025, title={Dynamic and Reversible Plasmonic Nanogaps From Isolated Dimer Nanoparticles via Self-Assembly}, DOI={10.1109/cleo/europe-eqec65582.2025.11109762}, booktitle={2025 Conference on Lasers and Electro-Optics Europe &amp;amp; European Quantum Electronics Conference (CLEO/Europe-EQEC)}, publisher={IEEE}, author={Devaraj, Vasanthan and Ruiz Alvarado, Isaac Azahel and Lee, Jongmin and Oh, Jin-Woo and Gerstmann, Uwe and Schmidt, Wolf Gero and Zentgraf, Thomas}, year={2025} }' chicago: Devaraj, Vasanthan, Isaac Azahel Ruiz Alvarado, Jongmin Lee, Jin-Woo Oh, Uwe Gerstmann, Wolf Gero Schmidt, and Thomas Zentgraf. “Dynamic and Reversible Plasmonic Nanogaps From Isolated Dimer Nanoparticles via Self-Assembly.” In 2025 Conference on Lasers and Electro-Optics Europe &amp;Amp; European Quantum Electronics Conference (CLEO/Europe-EQEC). IEEE, 2025. https://doi.org/10.1109/cleo/europe-eqec65582.2025.11109762. ieee: 'V. Devaraj et al., “Dynamic and Reversible Plasmonic Nanogaps From Isolated Dimer Nanoparticles via Self-Assembly,” 2025, doi: 10.1109/cleo/europe-eqec65582.2025.11109762.' mla: Devaraj, Vasanthan, et al. “Dynamic and Reversible Plasmonic Nanogaps From Isolated Dimer Nanoparticles via Self-Assembly.” 2025 Conference on Lasers and Electro-Optics Europe &amp;Amp; European Quantum Electronics Conference (CLEO/Europe-EQEC), IEEE, 2025, doi:10.1109/cleo/europe-eqec65582.2025.11109762. short: 'V. Devaraj, I.A. Ruiz Alvarado, J. Lee, J.-W. Oh, U. Gerstmann, W.G. Schmidt, T. Zentgraf, in: 2025 Conference on Lasers and Electro-Optics Europe &amp;Amp; European Quantum Electronics Conference (CLEO/Europe-EQEC), IEEE, 2025.' date_created: 2025-09-18T11:09:30Z date_updated: 2025-12-05T13:32:18Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '289' - _id: '35' - _id: '230' - _id: '790' doi: 10.1109/cleo/europe-eqec65582.2025.11109762 language: - iso: eng publication: 2025 Conference on Lasers and Electro-Optics Europe &amp; European Quantum Electronics Conference (CLEO/Europe-EQEC) publication_status: published publisher: IEEE status: public title: Dynamic and Reversible Plasmonic Nanogaps From Isolated Dimer Nanoparticles via Self-Assembly type: conference user_id: '16199' year: '2025' ... --- _id: '62926' abstract: - lang: eng text: "Abstract\r\n \r\n Negatively charged boron vacancies () in hexagonal boron nitride (hBN) are emerging as promising solid‐state spin qubits due to their optical accessibility, structural simplicity, and compatibility with photonic platforms. However, quantifying the density of such defects in thin hBN flakes has remained elusive, limiting progress in device integration and reproducibility. Here, an all‐optical method is presented to quantify \ defect density in hBN by correlating Raman and photoluminescence (PL) signatures with irradiation fluence. Two defect‐induced Raman modes, D1 and D2, are identified and assigned them to vibrational modes of using polarization‐resolved Raman measurements and density functional theory (DFT) calculations. By adapting a numerical model originally developed for graphene, an empirical relationship linking Raman (D1,\r\n \ E\r\n 2g\r\n \ ) and PL intensities is established to absolute defect densities. This method is universally applicable across various irradiation types and uniquely suited for thin flakes, where conventional techniques fail. The approach enables accurate, direct, and non‐destructive quantification of spin defect densities down to 10\r\n 15\r\n  defects/cm\r\n \ 3\r\n , offering a powerful tool for optimizing and benchmarking hBN for quantum optical applications.\r\n \ " article_number: e17851 author: - first_name: Atanu full_name: Patra, Atanu last_name: Patra - first_name: Paul full_name: Konrad, Paul last_name: Konrad - first_name: Andreas full_name: Sperlich, Andreas last_name: Sperlich - first_name: Timur full_name: Biktagirov, Timur id: '65612' last_name: Biktagirov - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Lesley full_name: Spencer, Lesley last_name: Spencer - first_name: Igor full_name: Aharonovich, Igor last_name: Aharonovich - first_name: Sven full_name: Höfling, Sven last_name: Höfling - first_name: Vladimir full_name: Dyakonov, Vladimir last_name: Dyakonov citation: ama: Patra A, Konrad P, Sperlich A, et al. Quantifying Spin Defect Density in hBN via Raman and Photoluminescence Analysis. Advanced Functional Materials. Published online 2025. doi:10.1002/adfm.202517851 apa: Patra, A., Konrad, P., Sperlich, A., Biktagirov, T., Schmidt, W. G., Spencer, L., Aharonovich, I., Höfling, S., & Dyakonov, V. (2025). Quantifying Spin Defect Density in hBN via Raman and Photoluminescence Analysis. Advanced Functional Materials, Article e17851. https://doi.org/10.1002/adfm.202517851 bibtex: '@article{Patra_Konrad_Sperlich_Biktagirov_Schmidt_Spencer_Aharonovich_Höfling_Dyakonov_2025, title={Quantifying Spin Defect Density in hBN via Raman and Photoluminescence Analysis}, DOI={10.1002/adfm.202517851}, number={e17851}, journal={Advanced Functional Materials}, publisher={Wiley}, author={Patra, Atanu and Konrad, Paul and Sperlich, Andreas and Biktagirov, Timur and Schmidt, Wolf Gero and Spencer, Lesley and Aharonovich, Igor and Höfling, Sven and Dyakonov, Vladimir}, year={2025} }' chicago: Patra, Atanu, Paul Konrad, Andreas Sperlich, Timur Biktagirov, Wolf Gero Schmidt, Lesley Spencer, Igor Aharonovich, Sven Höfling, and Vladimir Dyakonov. “Quantifying Spin Defect Density in HBN via Raman and Photoluminescence Analysis.” Advanced Functional Materials, 2025. https://doi.org/10.1002/adfm.202517851. ieee: 'A. Patra et al., “Quantifying Spin Defect Density in hBN via Raman and Photoluminescence Analysis,” Advanced Functional Materials, Art. no. e17851, 2025, doi: 10.1002/adfm.202517851.' mla: Patra, Atanu, et al. “Quantifying Spin Defect Density in HBN via Raman and Photoluminescence Analysis.” Advanced Functional Materials, e17851, Wiley, 2025, doi:10.1002/adfm.202517851. short: A. Patra, P. Konrad, A. Sperlich, T. Biktagirov, W.G. Schmidt, L. Spencer, I. Aharonovich, S. Höfling, V. Dyakonov, Advanced Functional Materials (2025). date_created: 2025-12-05T14:15:35Z date_updated: 2025-12-05T14:18:27Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1002/adfm.202517851 language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Advanced Functional Materials publication_identifier: issn: - 1616-301X - 1616-3028 publication_status: published publisher: Wiley status: public title: Quantifying Spin Defect Density in hBN via Raman and Photoluminescence Analysis type: journal_article user_id: '16199' year: '2025' ... --- _id: '60566' article_number: '074402' author: - first_name: Adriana full_name: Bocchini, Adriana id: '58349' last_name: Bocchini orcid: 0000-0002-2134-3075 - first_name: Michael full_name: Rüsing, Michael id: '22501' last_name: Rüsing orcid: 0000-0003-4682-4577 - first_name: Laura full_name: Bollmers, Laura id: '61375' last_name: Bollmers - first_name: Sebastian full_name: Lengeling, Sebastian id: '44373' last_name: Lengeling - first_name: Philipp full_name: Mues, Philipp id: '49772' last_name: Mues orcid: 0000-0003-0643-7636 - first_name: Laura full_name: Padberg, Laura id: '40300' last_name: Padberg - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Christine full_name: Silberhorn, Christine id: '26263' last_name: Silberhorn - first_name: Christof full_name: Eigner, Christof id: '13244' last_name: Eigner orcid: https://orcid.org/0000-0002-5693-3083 - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: 'Bocchini A, Rüsing M, Bollmers L, et al. Mg dopants in lithium niobate: Defect models and impact on domain inversion. Physical Review Materials. 2025;9(7). doi:10.1103/5wz1-bjyr' apa: 'Bocchini, A., Rüsing, M., Bollmers, L., Lengeling, S., Mues, P., Padberg, L., Gerstmann, U., Silberhorn, C., Eigner, C., & Schmidt, W. G. (2025). Mg dopants in lithium niobate: Defect models and impact on domain inversion. Physical Review Materials, 9(7), Article 074402. https://doi.org/10.1103/5wz1-bjyr' bibtex: '@article{Bocchini_Rüsing_Bollmers_Lengeling_Mues_Padberg_Gerstmann_Silberhorn_Eigner_Schmidt_2025, title={Mg dopants in lithium niobate: Defect models and impact on domain inversion}, volume={9}, DOI={10.1103/5wz1-bjyr}, number={7074402}, journal={Physical Review Materials}, publisher={American Physical Society (APS)}, author={Bocchini, Adriana and Rüsing, Michael and Bollmers, Laura and Lengeling, Sebastian and Mues, Philipp and Padberg, Laura and Gerstmann, Uwe and Silberhorn, Christine and Eigner, Christof and Schmidt, Wolf Gero}, year={2025} }' chicago: 'Bocchini, Adriana, Michael Rüsing, Laura Bollmers, Sebastian Lengeling, Philipp Mues, Laura Padberg, Uwe Gerstmann, Christine Silberhorn, Christof Eigner, and Wolf Gero Schmidt. “Mg Dopants in Lithium Niobate: Defect Models and Impact on Domain Inversion.” Physical Review Materials 9, no. 7 (2025). https://doi.org/10.1103/5wz1-bjyr.' ieee: 'A. Bocchini et al., “Mg dopants in lithium niobate: Defect models and impact on domain inversion,” Physical Review Materials, vol. 9, no. 7, Art. no. 074402, 2025, doi: 10.1103/5wz1-bjyr.' mla: 'Bocchini, Adriana, et al. “Mg Dopants in Lithium Niobate: Defect Models and Impact on Domain Inversion.” Physical Review Materials, vol. 9, no. 7, 074402, American Physical Society (APS), 2025, doi:10.1103/5wz1-bjyr.' short: A. Bocchini, M. Rüsing, L. Bollmers, S. Lengeling, P. Mues, L. Padberg, U. Gerstmann, C. Silberhorn, C. Eigner, W.G. Schmidt, Physical Review Materials 9 (2025). date_created: 2025-07-09T09:13:24Z date_updated: 2026-03-17T17:50:06Z ddc: - '530' department: - _id: '15' - _id: '623' - _id: '295' - _id: '790' - _id: '288' - _id: '230' - _id: '429' - _id: '35' - _id: '170' - _id: '169' - _id: '27' doi: 10.1103/5wz1-bjyr file: - access_level: open_access content_type: application/pdf creator: adrianab date_created: 2025-07-09T09:18:45Z date_updated: 2025-07-10T06:43:34Z file_id: '60567' file_name: Mg_dopants_LN_PRM.pdf file_size: 4175120 relation: main_file file_date_updated: 2025-07-10T06:43:34Z has_accepted_license: '1' intvolume: ' 9' issue: '7' language: - iso: eng main_file_link: - open_access: '1' url: https://link.aps.org/doi/10.1103/5wz1-bjyr oa: '1' project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' - _id: '53' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '168' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)' - _id: '166' name: 'TRR 142 - A11: TRR 142 - Subproject A11' publication: Physical Review Materials publication_identifier: issn: - 2475-9953 publication_status: published publisher: American Physical Society (APS) status: public title: 'Mg dopants in lithium niobate: Defect models and impact on domain inversion' type: journal_article user_id: '22501' volume: 9 year: '2025' ... --- _id: '61357' author: - first_name: Marvin full_name: Krenz, Marvin last_name: Krenz - first_name: Simone full_name: Sanna, Simone last_name: Sanna - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Krenz M, Sanna S, Gerstmann U, Schmidt WG. Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells. The Journal of Physical Chemistry C. 2024;128(41):17774-17778. doi:10.1021/acs.jpcc.4c05446 apa: Krenz, M., Sanna, S., Gerstmann, U., & Schmidt, W. G. (2024). Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells. The Journal of Physical Chemistry C, 128(41), 17774–17778. https://doi.org/10.1021/acs.jpcc.4c05446 bibtex: '@article{Krenz_Sanna_Gerstmann_Schmidt_2024, title={Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells}, volume={128}, DOI={10.1021/acs.jpcc.4c05446}, number={41}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Krenz, Marvin and Sanna, Simone and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2024}, pages={17774–17778} }' chicago: 'Krenz, Marvin, Simone Sanna, Uwe Gerstmann, and Wolf Gero Schmidt. “Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells.” The Journal of Physical Chemistry C 128, no. 41 (2024): 17774–78. https://doi.org/10.1021/acs.jpcc.4c05446.' ieee: 'M. Krenz, S. Sanna, U. Gerstmann, and W. G. Schmidt, “Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells,” The Journal of Physical Chemistry C, vol. 128, no. 41, pp. 17774–17778, 2024, doi: 10.1021/acs.jpcc.4c05446.' mla: Krenz, Marvin, et al. “Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells.” The Journal of Physical Chemistry C, vol. 128, no. 41, American Chemical Society (ACS), 2024, pp. 17774–78, doi:10.1021/acs.jpcc.4c05446. short: M. Krenz, S. Sanna, U. Gerstmann, W.G. Schmidt, The Journal of Physical Chemistry C 128 (2024) 17774–17778. date_created: 2025-09-18T11:32:33Z date_updated: 2025-09-18T11:34:21Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '230' - _id: '429' - _id: '35' - _id: '27' doi: 10.1021/acs.jpcc.4c05446 intvolume: ' 128' issue: '41' language: - iso: eng page: 17774-17778 project: - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: TRR 142 - Project Area A - _id: '55' name: TRR 142 - Project Area B - _id: '166' name: TRR 142 - Subproject A11 - _id: '168' name: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*) - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published publisher: American Chemical Society (ACS) status: public title: Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells type: journal_article user_id: '16199' volume: 128 year: '2024' ... --- _id: '61359' abstract: - lang: eng text: AbstractThe current efficiency records for generating green hydrogen via solar water splitting are held by indium phosphide (InP)‐based photo‐absorbers, protected by TiO2 layers grown through atomic layer deposition (ALD). InP is also a leading material for photonic integrated circuits and computing, where ultrafast near‐surface behavior is key. A previous study described electronic pathways at the phosphorus‐rich (P‐rich) surface of p‐doped InP(100) using time‐resolved two‐photon photoemission (tr‐2PPE) spectroscopy. Here, the intricate electron pathways of the P‐rich InP surface modified with ALD‐deposited TiO2 are explored. Photoexcited bulk InP electrons migrate through a bulk‐to‐surface transition cluster of states and surface states and inject into the TiO2 conduction band (CB). Energy levels and occupation dynamics of CB states in P‐rich InP and TiO2 adlayers are observed, with discrete states preserved up to 10 nm TiO2 deposition. Thermalization lifetimes of excited electrons > 0.8 eV above the InP conduction band minimum (CBM) are preserved for layer thicknesses up to 2.5 nm. Annealing at 300 °C to achieve crystalline TiO2 reconstructions destroys interfacial states, affecting charge transfer. These observations enable innovative engineering of the P‐rich InP/TiO2 heterointerface, opening new possibilities for studying hot‐carrier extraction, adsorbate effects, surface plasmons, and improving photovoltaic and PEC water‐splitting devices. article_number: '2409455' author: - first_name: Jonathan full_name: Diederich, Jonathan last_name: Diederich - first_name: Jennifer Velazquez full_name: Rojas, Jennifer Velazquez last_name: Rojas - first_name: Agnieszka full_name: Paszuk, Agnieszka last_name: Paszuk - first_name: Mohammad Amin Zare full_name: Pour, Mohammad Amin Zare last_name: Pour - first_name: Christian full_name: Höhn, Christian last_name: Höhn - first_name: Isaac Azahel Ruiz full_name: Alvarado, Isaac Azahel Ruiz last_name: Alvarado - first_name: Klaus full_name: Schwarzburg, Klaus last_name: Schwarzburg - first_name: David full_name: Ostheimer, David last_name: Ostheimer - first_name: Rainer full_name: Eichberger, Rainer last_name: Eichberger - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Thomas full_name: Hannappel, Thomas last_name: Hannappel - first_name: Roel full_name: van de Krol, Roel last_name: van de Krol - first_name: Dennis full_name: Friedrich, Dennis last_name: Friedrich citation: ama: Diederich J, Rojas JV, Paszuk A, et al. Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface. Advanced Functional Materials. 2024;34(49). doi:10.1002/adfm.202409455 apa: Diederich, J., Rojas, J. V., Paszuk, A., Pour, M. A. Z., Höhn, C., Alvarado, I. A. R., Schwarzburg, K., Ostheimer, D., Eichberger, R., Schmidt, W. G., Hannappel, T., van de Krol, R., & Friedrich, D. (2024). Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface. Advanced Functional Materials, 34(49), Article 2409455. https://doi.org/10.1002/adfm.202409455 bibtex: '@article{Diederich_Rojas_Paszuk_Pour_Höhn_Alvarado_Schwarzburg_Ostheimer_Eichberger_Schmidt_et al._2024, title={Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface}, volume={34}, DOI={10.1002/adfm.202409455}, number={492409455}, journal={Advanced Functional Materials}, publisher={Wiley}, author={Diederich, Jonathan and Rojas, Jennifer Velazquez and Paszuk, Agnieszka and Pour, Mohammad Amin Zare and Höhn, Christian and Alvarado, Isaac Azahel Ruiz and Schwarzburg, Klaus and Ostheimer, David and Eichberger, Rainer and Schmidt, Wolf Gero and et al.}, year={2024} }' chicago: Diederich, Jonathan, Jennifer Velazquez Rojas, Agnieszka Paszuk, Mohammad Amin Zare Pour, Christian Höhn, Isaac Azahel Ruiz Alvarado, Klaus Schwarzburg, et al. “Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface.” Advanced Functional Materials 34, no. 49 (2024). https://doi.org/10.1002/adfm.202409455. ieee: 'J. Diederich et al., “Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface,” Advanced Functional Materials, vol. 34, no. 49, Art. no. 2409455, 2024, doi: 10.1002/adfm.202409455.' mla: Diederich, Jonathan, et al. “Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface.” Advanced Functional Materials, vol. 34, no. 49, 2409455, Wiley, 2024, doi:10.1002/adfm.202409455. short: J. Diederich, J.V. Rojas, A. Paszuk, M.A.Z. Pour, C. Höhn, I.A.R. Alvarado, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Advanced Functional Materials 34 (2024). date_created: 2025-09-18T11:37:51Z date_updated: 2025-12-05T13:35:09Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' doi: 10.1002/adfm.202409455 intvolume: ' 34' issue: '49' language: - iso: eng publication: Advanced Functional Materials publication_identifier: issn: - 1616-301X - 1616-3028 publication_status: published publisher: Wiley status: public title: Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface type: journal_article user_id: '16199' volume: 34 year: '2024' ... --- _id: '60581' abstract: - lang: eng text: "Abstract\r\n The natural band alignments between indium phosphide and the main dioxides of titanium, i.e. rutile, anatase, and brookite as well as amorphous titania are calculated from the branch-point energies of the respective materials. Irrespective of the titania polymorph considered, type-I band alignment is predicted. This may change, however, in dependence on the microscopic interface structure: supercell calculations for amorphous titania grown on P-rich InP(001) surfaces result in a titania conduction band that nearly aligns with that of InP. Depending on the interface specifics, both type-I band and type-II band alignments are observed in the simulations. This agrees with recent experimental findings." article_number: '075001' author: - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Christian full_name: Dreßler, Christian last_name: Dreßler - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: 'Ruiz Alvarado IA, Dreßler C, Schmidt WG. Band alignment at InP/TiO2 interfaces from density-functional theory. Journal of Physics: Condensed Matter. 2024;37(7). doi:10.1088/1361-648x/ad9725' apa: 'Ruiz Alvarado, I. A., Dreßler, C., & Schmidt, W. G. (2024). Band alignment at InP/TiO2 interfaces from density-functional theory. Journal of Physics: Condensed Matter, 37(7), Article 075001. https://doi.org/10.1088/1361-648x/ad9725' bibtex: '@article{Ruiz Alvarado_Dreßler_Schmidt_2024, title={Band alignment at InP/TiO2 interfaces from density-functional theory}, volume={37}, DOI={10.1088/1361-648x/ad9725}, number={7075001}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Ruiz Alvarado, Isaac Azahel and Dreßler, Christian and Schmidt, Wolf Gero}, year={2024} }' chicago: 'Ruiz Alvarado, Isaac Azahel, Christian Dreßler, and Wolf Gero Schmidt. “Band Alignment at InP/TiO2 Interfaces from Density-Functional Theory.” Journal of Physics: Condensed Matter 37, no. 7 (2024). https://doi.org/10.1088/1361-648x/ad9725.' ieee: 'I. A. Ruiz Alvarado, C. Dreßler, and W. G. Schmidt, “Band alignment at InP/TiO2 interfaces from density-functional theory,” Journal of Physics: Condensed Matter, vol. 37, no. 7, Art. no. 075001, 2024, doi: 10.1088/1361-648x/ad9725.' mla: 'Ruiz Alvarado, Isaac Azahel, et al. “Band Alignment at InP/TiO2 Interfaces from Density-Functional Theory.” Journal of Physics: Condensed Matter, vol. 37, no. 7, 075001, IOP Publishing, 2024, doi:10.1088/1361-648x/ad9725.' short: 'I.A. Ruiz Alvarado, C. Dreßler, W.G. Schmidt, Journal of Physics: Condensed Matter 37 (2024).' date_created: 2025-07-09T13:40:51Z date_updated: 2025-12-05T13:35:44Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '27' - _id: '35' doi: 10.1088/1361-648x/ad9725 intvolume: ' 37' issue: '7' language: - iso: eng project: - _id: '53' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '168' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)' publication: 'Journal of Physics: Condensed Matter' publication_identifier: issn: - 0953-8984 - 1361-648X publication_status: published publisher: IOP Publishing status: public title: Band alignment at InP/TiO2 interfaces from density-functional theory type: journal_article user_id: '16199' volume: 37 year: '2024' ... --- _id: '54867' abstract: - lang: eng text: "\r\nArtificial leaves could be the breakthrough technology to overcome the limitations of storage and mobility through the synthesis of chemical fuels from sunlight, which will be an essential component of a sustainable future energy system. However, the realization of efficient solar‐driven artificial leaf structures requires integrated specialized materials such as semiconductor absorbers, catalysts, interfacial passivation, and contact layers. To date, no competitive system has emerged due to a lack of scientific understanding, knowledge‐based design rules, and scalable engineering strategies. Herein, competitive artificial leaf devices for water splitting, focusing on multiabsorber structures to achieve solar‐to‐hydrogen conversion efficiencies exceeding 15%, are discussed. A key challenge is integrating photovoltaic and electrochemical functionalities in a single device. Additionally, optimal electrocatalysts for intermittent operation at photocurrent densities of 10–20 mA cm−2 must be immobilized on the absorbers with specifically designed interfacial passivation and contact layers, so‐called buried junctions. This minimizes voltage and current losses and prevents corrosive side reactions. Key challenges include understanding elementary steps, identifying suitable materials, and developing synthesis and processing techniques for all integrated components. This is crucial for efficient, robust, and scalable devices. Herein, corresponding research efforts to produce green hydrogen with unassisted solar‐driven (photo‐)electrochemical devices are discussed and reported." author: - first_name: Thomas full_name: Hannappel, Thomas last_name: Hannappel - first_name: Sahar full_name: Shekarabi, Sahar last_name: Shekarabi - first_name: Wolfram full_name: Jaegermann, Wolfram last_name: Jaegermann - first_name: Erich full_name: Runge, Erich last_name: Runge - first_name: Jan Philipp full_name: Hofmann, Jan Philipp last_name: Hofmann - first_name: Roel full_name: van de Krol, Roel last_name: van de Krol - first_name: Matthias M. full_name: May, Matthias M. last_name: May - first_name: Agnieszka full_name: Paszuk, Agnieszka last_name: Paszuk - first_name: Franziska full_name: Hess, Franziska last_name: Hess - first_name: Arno full_name: Bergmann, Arno last_name: Bergmann - first_name: Andreas full_name: Bund, Andreas last_name: Bund - first_name: Christian full_name: Cierpka, Christian last_name: Cierpka - first_name: Christian full_name: Dreßler, Christian last_name: Dreßler - first_name: Fabio full_name: Dionigi, Fabio last_name: Dionigi - first_name: Dennis full_name: Friedrich, Dennis last_name: Friedrich - first_name: Marco full_name: Favaro, Marco last_name: Favaro - first_name: Stefan full_name: Krischok, Stefan last_name: Krischok - first_name: Mario full_name: Kurniawan, Mario last_name: Kurniawan - first_name: Kathy full_name: Lüdge, Kathy last_name: Lüdge - first_name: Yong full_name: Lei, Yong last_name: Lei - first_name: Beatriz full_name: Roldán Cuenya, Beatriz last_name: Roldán Cuenya - first_name: Peter full_name: Schaaf, Peter last_name: Schaaf - first_name: Rüdiger full_name: Schmidt‐Grund, Rüdiger last_name: Schmidt‐Grund - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Peter full_name: Strasser, Peter last_name: Strasser - first_name: Eva full_name: Unger, Eva last_name: Unger - first_name: Manuel F. full_name: Vasquez Montoya, Manuel F. last_name: Vasquez Montoya - first_name: Dong full_name: Wang, Dong last_name: Wang - first_name: Hongbin full_name: Zhang, Hongbin last_name: Zhang citation: ama: 'Hannappel T, Shekarabi S, Jaegermann W, et al. Integration of Multijunction Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials Science Perspective. Solar RRL. 2024;8(11). doi:10.1002/solr.202301047' apa: 'Hannappel, T., Shekarabi, S., Jaegermann, W., Runge, E., Hofmann, J. P., van de Krol, R., May, M. M., Paszuk, A., Hess, F., Bergmann, A., Bund, A., Cierpka, C., Dreßler, C., Dionigi, F., Friedrich, D., Favaro, M., Krischok, S., Kurniawan, M., Lüdge, K., … Zhang, H. (2024). Integration of Multijunction Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials Science Perspective. Solar RRL, 8(11). https://doi.org/10.1002/solr.202301047' bibtex: '@article{Hannappel_Shekarabi_Jaegermann_Runge_Hofmann_van de Krol_May_Paszuk_Hess_Bergmann_et al._2024, title={Integration of Multijunction Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials Science Perspective}, volume={8}, DOI={10.1002/solr.202301047}, number={11}, journal={Solar RRL}, publisher={Wiley}, author={Hannappel, Thomas and Shekarabi, Sahar and Jaegermann, Wolfram and Runge, Erich and Hofmann, Jan Philipp and van de Krol, Roel and May, Matthias M. and Paszuk, Agnieszka and Hess, Franziska and Bergmann, Arno and et al.}, year={2024} }' chicago: 'Hannappel, Thomas, Sahar Shekarabi, Wolfram Jaegermann, Erich Runge, Jan Philipp Hofmann, Roel van de Krol, Matthias M. May, et al. “Integration of Multijunction Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials Science Perspective.” Solar RRL 8, no. 11 (2024). https://doi.org/10.1002/solr.202301047.' ieee: 'T. Hannappel et al., “Integration of Multijunction Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials Science Perspective,” Solar RRL, vol. 8, no. 11, 2024, doi: 10.1002/solr.202301047.' mla: 'Hannappel, Thomas, et al. “Integration of Multijunction Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials Science Perspective.” Solar RRL, vol. 8, no. 11, Wiley, 2024, doi:10.1002/solr.202301047.' short: T. Hannappel, S. Shekarabi, W. Jaegermann, E. Runge, J.P. Hofmann, R. van de Krol, M.M. May, A. Paszuk, F. Hess, A. Bergmann, A. Bund, C. Cierpka, C. Dreßler, F. Dionigi, D. Friedrich, M. Favaro, S. Krischok, M. Kurniawan, K. Lüdge, Y. Lei, B. Roldán Cuenya, P. Schaaf, R. Schmidt‐Grund, W.G. Schmidt, P. Strasser, E. Unger, M.F. Vasquez Montoya, D. Wang, H. Zhang, Solar RRL 8 (2024). date_created: 2024-06-24T09:44:41Z date_updated: 2025-12-05T13:37:24Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' doi: 10.1002/solr.202301047 intvolume: ' 8' issue: '11' language: - iso: eng publication: Solar RRL publication_identifier: issn: - 2367-198X - 2367-198X publication_status: published publisher: Wiley status: public title: 'Integration of Multijunction Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials Science Perspective' type: journal_article user_id: '16199' volume: 8 year: '2024' ... --- _id: '54868' abstract: - lang: eng text: AbstractMost properties of solid materials are defined by their internal electric field and charge density distributions which so far are difficult to measure with high spatial resolution. Especially for 2D materials, the atomic electric fields influence the optoelectronic properties. In this study, the atomic‐scale electric field and charge density distribution of WSe2 bi‐ and trilayers are revealed using an emerging microscopy technique, differential phase contrast (DPC) imaging in scanning transmission electron microscopy (STEM). For pristine material, a higher positive charge density located at the selenium atomic columns compared to the tungsten atomic columns is obtained and tentatively explained by a coherent scattering effect. Furthermore, the change in the electric field distribution induced by a missing selenium atomic column is investigated. A characteristic electric field distribution in the vicinity of the defect with locally reduced magnitudes compared to the pristine lattice is observed. This effect is accompanied by a considerable inward relaxation of the surrounding lattice, which according to first principles DFT calculation is fully compatible with a missing column of Se atoms. This shows that DPC imaging, as an electric field sensitive technique, provides additional and remarkable information to the otherwise only structural analysis obtained with conventional STEM imaging. article_type: original author: - first_name: Maja full_name: Groll, Maja last_name: Groll - first_name: Julius full_name: Bürger, Julius id: '46952' last_name: Bürger - first_name: Ioannis full_name: Caltzidis, Ioannis id: '87911' last_name: Caltzidis - first_name: Klaus D. full_name: Jöns, Klaus D. id: '85353' last_name: Jöns - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Jörg K. N. full_name: Lindner, Jörg K. N. id: '20797' last_name: Lindner citation: ama: Groll M, Bürger J, Caltzidis I, et al. DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging. Small. Published online 2024. doi:10.1002/smll.202311635 apa: Groll, M., Bürger, J., Caltzidis, I., Jöns, K. D., Schmidt, W. G., Gerstmann, U., & Lindner, J. K. N. (2024). DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging. Small. https://doi.org/10.1002/smll.202311635 bibtex: '@article{Groll_Bürger_Caltzidis_Jöns_Schmidt_Gerstmann_Lindner_2024, title={DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging}, DOI={10.1002/smll.202311635}, journal={Small}, publisher={Wiley}, author={Groll, Maja and Bürger, Julius and Caltzidis, Ioannis and Jöns, Klaus D. and Schmidt, Wolf Gero and Gerstmann, Uwe and Lindner, Jörg K. N.}, year={2024} }' chicago: Groll, Maja, Julius Bürger, Ioannis Caltzidis, Klaus D. Jöns, Wolf Gero Schmidt, Uwe Gerstmann, and Jörg K. N. Lindner. “DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging.” Small, 2024. https://doi.org/10.1002/smll.202311635. ieee: 'M. Groll et al., “DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging,” Small, 2024, doi: 10.1002/smll.202311635.' mla: Groll, Maja, et al. “DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging.” Small, Wiley, 2024, doi:10.1002/smll.202311635. short: M. Groll, J. Bürger, I. Caltzidis, K.D. Jöns, W.G. Schmidt, U. Gerstmann, J.K.N. Lindner, Small (2024). date_created: 2024-06-24T09:46:25Z date_updated: 2025-12-05T13:39:01Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '642' - _id: '286' - _id: '429' - _id: '230' - _id: '27' - _id: '35' - _id: '169' doi: 10.1002/smll.202311635 language: - iso: eng project: - _id: '53' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '166' name: 'TRR 142 - A11: TRR 142 - Subproject A11' - _id: '168' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)' - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Small publication_identifier: issn: - 1613-6810 - 1613-6829 publication_status: published publisher: Wiley status: public title: DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging type: journal_article user_id: '16199' year: '2024' ... --- _id: '60582' abstract: - lang: eng text: AbstractThe current efficiency records for generating green hydrogen via solar water splitting are held by indium phosphide (InP)‐based photo‐absorbers, protected by TiO2 layers grown through atomic layer deposition (ALD). InP is also a leading material for photonic integrated circuits and computing, where ultrafast near‐surface behavior is key. A previous study described electronic pathways at the phosphorus‐rich (P‐rich) surface of p‐doped InP(100) using time‐resolved two‐photon photoemission (tr‐2PPE) spectroscopy. Here, the intricate electron pathways of the P‐rich InP surface modified with ALD‐deposited TiO2 are explored. Photoexcited bulk InP electrons migrate through a bulk‐to‐surface transition cluster of states and surface states and inject into the TiO2 conduction band (CB). Energy levels and occupation dynamics of CB states in P‐rich InP and TiO2 adlayers are observed, with discrete states preserved up to 10 nm TiO2 deposition. Thermalization lifetimes of excited electrons > 0.8 eV above the InP conduction band minimum (CBM) are preserved for layer thicknesses up to 2.5 nm. Annealing at 300 °C to achieve crystalline TiO2 reconstructions destroys interfacial states, affecting charge transfer. These observations enable innovative engineering of the P‐rich InP/TiO2 heterointerface, opening new possibilities for studying hot‐carrier extraction, adsorbate effects, surface plasmons, and improving photovoltaic and PEC water‐splitting devices. article_type: original author: - first_name: Jonathan full_name: Diederich, Jonathan last_name: Diederich - first_name: Jennifer Velazquez full_name: Rojas, Jennifer Velazquez last_name: Rojas - first_name: Agnieszka full_name: Paszuk, Agnieszka last_name: Paszuk - first_name: Mohammad Amin Zare full_name: Pour, Mohammad Amin Zare last_name: Pour - first_name: Christian full_name: Höhn, Christian last_name: Höhn - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Klaus full_name: Schwarzburg, Klaus last_name: Schwarzburg - first_name: David full_name: Ostheimer, David last_name: Ostheimer - first_name: Rainer full_name: Eichberger, Rainer last_name: Eichberger - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Thomas full_name: Hannappel, Thomas last_name: Hannappel - first_name: Roel full_name: van de Krol, Roel last_name: van de Krol - first_name: Dennis full_name: Friedrich, Dennis last_name: Friedrich citation: ama: Diederich J, Rojas JV, Paszuk A, et al. Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface. Advanced Functional Materials. 2024;34(49). doi:10.1002/adfm.202409455 apa: Diederich, J., Rojas, J. V., Paszuk, A., Pour, M. A. Z., Höhn, C., Ruiz Alvarado, I. A., Schwarzburg, K., Ostheimer, D., Eichberger, R., Schmidt, W. G., Hannappel, T., van de Krol, R., & Friedrich, D. (2024). Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface. Advanced Functional Materials, 34(49). https://doi.org/10.1002/adfm.202409455 bibtex: '@article{Diederich_Rojas_Paszuk_Pour_Höhn_Ruiz Alvarado_Schwarzburg_Ostheimer_Eichberger_Schmidt_et al._2024, title={Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface}, volume={34}, DOI={10.1002/adfm.202409455}, number={49}, journal={Advanced Functional Materials}, publisher={Wiley}, author={Diederich, Jonathan and Rojas, Jennifer Velazquez and Paszuk, Agnieszka and Pour, Mohammad Amin Zare and Höhn, Christian and Ruiz Alvarado, Isaac Azahel and Schwarzburg, Klaus and Ostheimer, David and Eichberger, Rainer and Schmidt, Wolf Gero and et al.}, year={2024} }' chicago: Diederich, Jonathan, Jennifer Velazquez Rojas, Agnieszka Paszuk, Mohammad Amin Zare Pour, Christian Höhn, Isaac Azahel Ruiz Alvarado, Klaus Schwarzburg, et al. “Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface.” Advanced Functional Materials 34, no. 49 (2024). https://doi.org/10.1002/adfm.202409455. ieee: 'J. Diederich et al., “Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface,” Advanced Functional Materials, vol. 34, no. 49, 2024, doi: 10.1002/adfm.202409455.' mla: Diederich, Jonathan, et al. “Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface.” Advanced Functional Materials, vol. 34, no. 49, Wiley, 2024, doi:10.1002/adfm.202409455. short: J. Diederich, J.V. Rojas, A. Paszuk, M.A.Z. Pour, C. Höhn, I.A. Ruiz Alvarado, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Advanced Functional Materials 34 (2024). date_created: 2025-07-09T13:47:37Z date_updated: 2025-12-05T13:39:54Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '27' - _id: '35' doi: 10.1002/adfm.202409455 intvolume: ' 34' issue: '49' language: - iso: eng publication: Advanced Functional Materials publication_identifier: issn: - 1616-301X - 1616-3028 publication_status: published publisher: Wiley status: public title: Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO2 Interface type: journal_article user_id: '16199' volume: 34 year: '2024' ... --- _id: '54856' abstract: - lang: eng text: "Abstract\r\n Theoretical spectroscopy based on double perturbation theory is typically challenged by systems with large orbital hyperfine splitting. Therefore, we here derive a rigorous, non-perturbative scheme starting from Dirac’s equation which allows to calculate the contribution of the orbital HFI for complex structures including heavy atoms with strong spin-orbit coupling (SOC). Using the PAW formalism, the method has been implemented in the software package Quantum ESPRESSO. We show that the ‘orbital part’ actually scales with SOC strength if orbital quenching is hindered by low local symmetry, i.e. in case of dimers or atoms at surfaces. This holds true in particular when the unpaired electron is localized in quasi-atomic p-like orbitals. Here, the orbital part is by far not negligible, but becomes dominant by surpassing the dipolar contribution by a factor of five." article_number: '012094' author: - first_name: Katharina full_name: Franzke, Katharina last_name: Franzke - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: 'Franzke K, Schmidt WG, Gerstmann U. Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures. Journal of Physics: Conference Series. 2024;2701(1). doi:10.1088/1742-6596/2701/1/012094' apa: 'Franzke, K., Schmidt, W. G., & Gerstmann, U. (2024). Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures. Journal of Physics: Conference Series, 2701(1), Article 012094. https://doi.org/10.1088/1742-6596/2701/1/012094' bibtex: '@article{Franzke_Schmidt_Gerstmann_2024, title={Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures}, volume={2701}, DOI={10.1088/1742-6596/2701/1/012094}, number={1012094}, journal={Journal of Physics: Conference Series}, publisher={IOP Publishing}, author={Franzke, Katharina and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2024} }' chicago: 'Franzke, Katharina, Wolf Gero Schmidt, and Uwe Gerstmann. “Relativistic Calculation of the Orbital Hyperfine Splitting in Complex Microscopic Structures.” Journal of Physics: Conference Series 2701, no. 1 (2024). https://doi.org/10.1088/1742-6596/2701/1/012094.' ieee: 'K. Franzke, W. G. Schmidt, and U. Gerstmann, “Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures,” Journal of Physics: Conference Series, vol. 2701, no. 1, Art. no. 012094, 2024, doi: 10.1088/1742-6596/2701/1/012094.' mla: 'Franzke, Katharina, et al. “Relativistic Calculation of the Orbital Hyperfine Splitting in Complex Microscopic Structures.” Journal of Physics: Conference Series, vol. 2701, no. 1, 012094, IOP Publishing, 2024, doi:10.1088/1742-6596/2701/1/012094.' short: 'K. Franzke, W.G. Schmidt, U. Gerstmann, Journal of Physics: Conference Series 2701 (2024).' date_created: 2024-06-24T06:26:02Z date_updated: 2025-12-05T13:36:01Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '230' - _id: '429' - _id: '27' - _id: '35' doi: 10.1088/1742-6596/2701/1/012094 intvolume: ' 2701' issue: '1' language: - iso: eng project: - _id: '53' name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' - _id: '54' name: 'TRR 142 - A: TRR 142 - Project Area A' - _id: '55' name: 'TRR 142 - B: TRR 142 - Project Area B' - _id: '166' name: 'TRR 142 - A11: TRR 142 - Subproject A11' - _id: '168' name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat (B07*)' - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: 'Journal of Physics: Conference Series' publication_identifier: issn: - 1742-6588 - 1742-6596 publication_status: published publisher: IOP Publishing status: public title: Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures type: journal_article user_id: '16199' volume: 2701 year: '2024' ... --- _id: '54866' author: - first_name: Jonathan full_name: Diederich, Jonathan last_name: Diederich - first_name: Jennifer full_name: Velasquez Rojas, Jennifer last_name: Velasquez Rojas - first_name: Mohammad Amin full_name: Zare Pour, Mohammad Amin last_name: Zare Pour - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Agnieszka full_name: Paszuk, Agnieszka last_name: Paszuk - first_name: Rachele full_name: Sciotto, Rachele last_name: Sciotto - first_name: Christian full_name: Höhn, Christian last_name: Höhn - first_name: Klaus full_name: Schwarzburg, Klaus last_name: Schwarzburg - first_name: David full_name: Ostheimer, David last_name: Ostheimer - first_name: Rainer full_name: Eichberger, Rainer last_name: Eichberger - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Thomas full_name: Hannappel, Thomas last_name: Hannappel - first_name: Roel full_name: van de Krol, Roel last_name: van de Krol - first_name: Dennis full_name: Friedrich, Dennis last_name: Friedrich citation: ama: 'Diederich J, Velasquez Rojas J, Zare Pour MA, et al. Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study. Journal of the American Chemical Society. 2024;146(13):8949-8960. doi:10.1021/jacs.3c12487' apa: 'Diederich, J., Velasquez Rojas, J., Zare Pour, M. A., Ruiz Alvarado, I. A., Paszuk, A., Sciotto, R., Höhn, C., Schwarzburg, K., Ostheimer, D., Eichberger, R., Schmidt, W. G., Hannappel, T., van de Krol, R., & Friedrich, D. (2024). Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study. Journal of the American Chemical Society, 146(13), 8949–8960. https://doi.org/10.1021/jacs.3c12487' bibtex: '@article{Diederich_Velasquez Rojas_Zare Pour_Ruiz Alvarado_Paszuk_Sciotto_Höhn_Schwarzburg_Ostheimer_Eichberger_et al._2024, title={Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study}, volume={146}, DOI={10.1021/jacs.3c12487}, number={13}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Diederich, Jonathan and Velasquez Rojas, Jennifer and Zare Pour, Mohammad Amin and Ruiz Alvarado, Isaac Azahel and Paszuk, Agnieszka and Sciotto, Rachele and Höhn, Christian and Schwarzburg, Klaus and Ostheimer, David and Eichberger, Rainer and et al.}, year={2024}, pages={8949–8960} }' chicago: 'Diederich, Jonathan, Jennifer Velasquez Rojas, Mohammad Amin Zare Pour, Isaac Azahel Ruiz Alvarado, Agnieszka Paszuk, Rachele Sciotto, Christian Höhn, et al. “Unraveling Electron Dynamics in P-Type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study.” Journal of the American Chemical Society 146, no. 13 (2024): 8949–60. https://doi.org/10.1021/jacs.3c12487.' ieee: 'J. Diederich et al., “Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study,” Journal of the American Chemical Society, vol. 146, no. 13, pp. 8949–8960, 2024, doi: 10.1021/jacs.3c12487.' mla: 'Diederich, Jonathan, et al. “Unraveling Electron Dynamics in P-Type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study.” Journal of the American Chemical Society, vol. 146, no. 13, American Chemical Society (ACS), 2024, pp. 8949–60, doi:10.1021/jacs.3c12487.' short: J. Diederich, J. Velasquez Rojas, M.A. Zare Pour, I.A. Ruiz Alvarado, A. Paszuk, R. Sciotto, C. Höhn, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Journal of the American Chemical Society 146 (2024) 8949–8960. date_created: 2024-06-24T09:42:46Z date_updated: 2025-12-05T13:37:59Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '27' - _id: '35' doi: 10.1021/jacs.3c12487 intvolume: ' 146' issue: '13' language: - iso: eng page: 8949-8960 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society (ACS) status: public title: 'Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study' type: journal_article user_id: '16199' volume: 146 year: '2024' ... --- _id: '54855' abstract: - lang: eng text: Density-functional theory calculations on P-rich InP(001):H surfaces are presented. Depending on temperature, pressure and substrate doping, hydrogen desorption or adsorption will occur and influence the surface electronic properties. For p-doped samples, the charge transition levels of the P dangling bond defects resulting from H desorption will lead to Fermi level pinning in the lower half of the band gap. This explains recent experimental data. For n-doped substrates, H-deficient surfaces are the ground-state structure. This will lead to Fermi level pinning below the bulk conduction band minimum. Surface defects resulting from the adsorption of additional hydrogen can be expected as well, but affect the surface electronic properties less than H desorption. author: - first_name: Rachele full_name: Sciotto, Rachele last_name: Sciotto - first_name: Isaac Azahel full_name: Ruiz Alvarado, Isaac Azahel id: '79462' last_name: Ruiz Alvarado orcid: 0000-0002-4710-1170 - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Sciotto R, Ruiz Alvarado IA, Schmidt WG. Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties. Surfaces. 2024;7(1):79-87. doi:10.3390/surfaces7010006 apa: Sciotto, R., Ruiz Alvarado, I. A., & Schmidt, W. G. (2024). Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties. Surfaces, 7(1), 79–87. https://doi.org/10.3390/surfaces7010006 bibtex: '@article{Sciotto_Ruiz Alvarado_Schmidt_2024, title={Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties}, volume={7}, DOI={10.3390/surfaces7010006}, number={1}, journal={Surfaces}, publisher={MDPI AG}, author={Sciotto, Rachele and Ruiz Alvarado, Isaac Azahel and Schmidt, Wolf Gero}, year={2024}, pages={79–87} }' chicago: 'Sciotto, Rachele, Isaac Azahel Ruiz Alvarado, and Wolf Gero Schmidt. “Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties.” Surfaces 7, no. 1 (2024): 79–87. https://doi.org/10.3390/surfaces7010006.' ieee: 'R. Sciotto, I. A. Ruiz Alvarado, and W. G. Schmidt, “Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties,” Surfaces, vol. 7, no. 1, pp. 79–87, 2024, doi: 10.3390/surfaces7010006.' mla: Sciotto, Rachele, et al. “Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties.” Surfaces, vol. 7, no. 1, MDPI AG, 2024, pp. 79–87, doi:10.3390/surfaces7010006. short: R. Sciotto, I.A. Ruiz Alvarado, W.G. Schmidt, Surfaces 7 (2024) 79–87. date_created: 2024-06-24T06:24:26Z date_updated: 2025-12-05T13:36:19Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '27' - _id: '35' doi: 10.3390/surfaces7010006 intvolume: ' 7' issue: '1' language: - iso: eng page: 79-87 project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Surfaces publication_identifier: issn: - 2571-9637 publication_status: published publisher: MDPI AG status: public title: Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties type: journal_article user_id: '16199' volume: 7 year: '2024' ... --- _id: '54869' article_number: '100629' author: - first_name: H. full_name: Pfnür, H. last_name: Pfnür - first_name: C. full_name: Tegenkamp, C. last_name: Tegenkamp - first_name: S. full_name: Sanna, S. last_name: Sanna - first_name: E. full_name: Jeckelmann, E. last_name: Jeckelmann - first_name: M. full_name: Horn-von Hoegen, M. last_name: Horn-von Hoegen - first_name: U. full_name: Bovensiepen, U. last_name: Bovensiepen - first_name: N. full_name: Esser, N. last_name: Esser - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: M. full_name: Dähne, M. last_name: Dähne - first_name: S. full_name: Wippermann, S. last_name: Wippermann - first_name: F. full_name: Bechstedt, F. last_name: Bechstedt - first_name: M. full_name: Bode, M. last_name: Bode - first_name: R. full_name: Claessen, R. last_name: Claessen - first_name: R. full_name: Ernstorfer, R. last_name: Ernstorfer - first_name: C. full_name: Hogan, C. last_name: Hogan - first_name: M. full_name: Ligges, M. last_name: Ligges - first_name: A. full_name: Pucci, A. last_name: Pucci - first_name: J. full_name: Schäfer, J. last_name: Schäfer - first_name: E. full_name: Speiser, E. last_name: Speiser - first_name: M. full_name: Wolf, M. last_name: Wolf - first_name: J. full_name: Wollschläger, J. last_name: Wollschläger citation: ama: 'Pfnür H, Tegenkamp C, Sanna S, et al. Atomic wires on substrates: Physics between one and two dimensions. Surface Science Reports. 2024;79(2). doi:10.1016/j.surfrep.2024.100629' apa: 'Pfnür, H., Tegenkamp, C., Sanna, S., Jeckelmann, E., Horn-von Hoegen, M., Bovensiepen, U., Esser, N., Schmidt, W. G., Dähne, M., Wippermann, S., Bechstedt, F., Bode, M., Claessen, R., Ernstorfer, R., Hogan, C., Ligges, M., Pucci, A., Schäfer, J., Speiser, E., … Wollschläger, J. (2024). Atomic wires on substrates: Physics between one and two dimensions. Surface Science Reports, 79(2), Article 100629. https://doi.org/10.1016/j.surfrep.2024.100629' bibtex: '@article{Pfnür_Tegenkamp_Sanna_Jeckelmann_Horn-von Hoegen_Bovensiepen_Esser_Schmidt_Dähne_Wippermann_et al._2024, title={Atomic wires on substrates: Physics between one and two dimensions}, volume={79}, DOI={10.1016/j.surfrep.2024.100629}, number={2100629}, journal={Surface Science Reports}, publisher={Elsevier BV}, author={Pfnür, H. and Tegenkamp, C. and Sanna, S. and Jeckelmann, E. and Horn-von Hoegen, M. and Bovensiepen, U. and Esser, N. and Schmidt, Wolf Gero and Dähne, M. and Wippermann, S. and et al.}, year={2024} }' chicago: 'Pfnür, H., C. Tegenkamp, S. Sanna, E. Jeckelmann, M. Horn-von Hoegen, U. Bovensiepen, N. Esser, et al. “Atomic Wires on Substrates: Physics between One and Two Dimensions.” Surface Science Reports 79, no. 2 (2024). https://doi.org/10.1016/j.surfrep.2024.100629.' ieee: 'H. Pfnür et al., “Atomic wires on substrates: Physics between one and two dimensions,” Surface Science Reports, vol. 79, no. 2, Art. no. 100629, 2024, doi: 10.1016/j.surfrep.2024.100629.' mla: 'Pfnür, H., et al. “Atomic Wires on Substrates: Physics between One and Two Dimensions.” Surface Science Reports, vol. 79, no. 2, 100629, Elsevier BV, 2024, doi:10.1016/j.surfrep.2024.100629.' short: H. Pfnür, C. Tegenkamp, S. Sanna, E. Jeckelmann, M. Horn-von Hoegen, U. Bovensiepen, N. Esser, W.G. Schmidt, M. Dähne, S. Wippermann, F. Bechstedt, M. Bode, R. Claessen, R. Ernstorfer, C. Hogan, M. Ligges, A. Pucci, J. Schäfer, E. Speiser, M. Wolf, J. Wollschläger, Surface Science Reports 79 (2024). date_created: 2024-06-24T09:50:37Z date_updated: 2025-12-05T13:36:47Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '27' - _id: '35' doi: 10.1016/j.surfrep.2024.100629 intvolume: ' 79' issue: '2' language: - iso: eng project: - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: Surface Science Reports publication_identifier: issn: - 0167-5729 publication_status: published publisher: Elsevier BV status: public title: 'Atomic wires on substrates: Physics between one and two dimensions' type: journal_article user_id: '16199' volume: 79 year: '2024' ...