--- _id: '37995' author: - first_name: Marie-Luis full_name: Schirmer, Marie-Luis last_name: Schirmer - first_name: Sven full_name: Adomeit, Sven last_name: Adomeit - first_name: Thomas full_name: Werner, Thomas id: '89271' last_name: Werner orcid: 0000-0001-9025-3244 citation: ama: Schirmer M-L, Adomeit S, Werner T. First Base-Free Catalytic Wittig Reaction. Organic Letters. 2015;17(12):3078-3081. doi:10.1021/acs.orglett.5b01352 apa: Schirmer, M.-L., Adomeit, S., & Werner, T. (2015). First Base-Free Catalytic Wittig Reaction. Organic Letters, 17(12), 3078–3081. https://doi.org/10.1021/acs.orglett.5b01352 bibtex: '@article{Schirmer_Adomeit_Werner_2015, title={First Base-Free Catalytic Wittig Reaction}, volume={17}, DOI={10.1021/acs.orglett.5b01352}, number={12}, journal={Organic Letters}, publisher={American Chemical Society (ACS)}, author={Schirmer, Marie-Luis and Adomeit, Sven and Werner, Thomas}, year={2015}, pages={3078–3081} }' chicago: 'Schirmer, Marie-Luis, Sven Adomeit, and Thomas Werner. “First Base-Free Catalytic Wittig Reaction.” Organic Letters 17, no. 12 (2015): 3078–81. https://doi.org/10.1021/acs.orglett.5b01352.' ieee: 'M.-L. Schirmer, S. Adomeit, and T. Werner, “First Base-Free Catalytic Wittig Reaction,” Organic Letters, vol. 17, no. 12, pp. 3078–3081, 2015, doi: 10.1021/acs.orglett.5b01352.' mla: Schirmer, Marie-Luis, et al. “First Base-Free Catalytic Wittig Reaction.” Organic Letters, vol. 17, no. 12, American Chemical Society (ACS), 2015, pp. 3078–81, doi:10.1021/acs.orglett.5b01352. short: M.-L. Schirmer, S. Adomeit, T. Werner, Organic Letters 17 (2015) 3078–3081. date_created: 2023-01-22T21:07:30Z date_updated: 2025-11-10T09:28:45Z department: - _id: '35' - _id: '2' - _id: '657' doi: 10.1021/acs.orglett.5b01352 extern: '1' intvolume: ' 17' issue: '12' keyword: - T2 - CSSD language: - iso: eng page: 3078-3081 publication: Organic Letters publication_identifier: issn: - 1523-7060 - 1523-7052 publication_status: published publisher: American Chemical Society (ACS) status: public title: First Base-Free Catalytic Wittig Reaction type: journal_article user_id: '89271' volume: 17 year: '2015' ... --- _id: '37998' author: - first_name: Hendrik full_name: Büttner, Hendrik last_name: Büttner - first_name: Kornelia full_name: Lau, Kornelia last_name: Lau - first_name: Anke full_name: Spannenberg, Anke last_name: Spannenberg - first_name: Thomas full_name: Werner, Thomas id: '89271' last_name: Werner orcid: 0000-0001-9025-3244 citation: ama: Büttner H, Lau K, Spannenberg A, Werner T. Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides. ChemCatChem. 2015;7(3):459-467. doi:10.1002/cctc.201402816 apa: Büttner, H., Lau, K., Spannenberg, A., & Werner, T. (2015). Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides. ChemCatChem, 7(3), 459–467. https://doi.org/10.1002/cctc.201402816 bibtex: '@article{Büttner_Lau_Spannenberg_Werner_2015, title={Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides}, volume={7}, DOI={10.1002/cctc.201402816}, number={3}, journal={ChemCatChem}, publisher={Wiley}, author={Büttner, Hendrik and Lau, Kornelia and Spannenberg, Anke and Werner, Thomas}, year={2015}, pages={459–467} }' chicago: 'Büttner, Hendrik, Kornelia Lau, Anke Spannenberg, and Thomas Werner. “Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides.” ChemCatChem 7, no. 3 (2015): 459–67. https://doi.org/10.1002/cctc.201402816.' ieee: 'H. Büttner, K. Lau, A. Spannenberg, and T. Werner, “Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides,” ChemCatChem, vol. 7, no. 3, pp. 459–467, 2015, doi: 10.1002/cctc.201402816.' mla: Büttner, Hendrik, et al. “Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides.” ChemCatChem, vol. 7, no. 3, Wiley, 2015, pp. 459–67, doi:10.1002/cctc.201402816. short: H. Büttner, K. Lau, A. Spannenberg, T. Werner, ChemCatChem 7 (2015) 459–467. date_created: 2023-01-22T21:08:33Z date_updated: 2025-11-10T09:33:06Z department: - _id: '35' - _id: '2' - _id: '657' doi: 10.1002/cctc.201402816 extern: '1' intvolume: ' 7' issue: '3' keyword: - T1 - CSSD language: - iso: eng page: 459-467 publication: ChemCatChem publication_identifier: issn: - 1867-3880 publication_status: published publisher: Wiley status: public title: Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides type: journal_article user_id: '89271' volume: 7 year: '2015' ... --- _id: '62811' abstract: - lang: eng text: The photo-conversion efficiency and stability of back-illuminated dye sensitised solar cells with titanium foil based photoanodes are enhanced by a simple nitric acid treatment through which the foil is passivated. This treatment changes the morphology of the titanium foil and increases its electrochemical double layer capacitance. article_type: original author: - first_name: Julia full_name: Linnemann, Julia id: '116779' last_name: Linnemann orcid: 0000-0001-6883-5424 - first_name: J. full_name: Giorgio, J. last_name: Giorgio - first_name: K. full_name: Wagner, K. last_name: Wagner - first_name: G. full_name: Mathieson, G. last_name: Mathieson - first_name: G. G. full_name: Wallace, G. G. last_name: Wallace - first_name: D. L. full_name: Officer, D. L. last_name: Officer citation: ama: Linnemann J, Giorgio J, Wagner K, Mathieson G, Wallace GG, Officer DL. A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes. Journal of Materials Chemistry A. 2015;3(7):3266-3270. doi:10.1039/c4ta05407e apa: Linnemann, J., Giorgio, J., Wagner, K., Mathieson, G., Wallace, G. G., & Officer, D. L. (2015). A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes. Journal of Materials Chemistry A, 3(7), 3266–3270. https://doi.org/10.1039/c4ta05407e bibtex: '@article{Linnemann_Giorgio_Wagner_Mathieson_Wallace_Officer_2015, title={A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes}, volume={3}, DOI={10.1039/c4ta05407e}, number={7}, journal={Journal of Materials Chemistry A}, publisher={Royal Society of Chemistry (RSC)}, author={Linnemann, Julia and Giorgio, J. and Wagner, K. and Mathieson, G. and Wallace, G. G. and Officer, D. L.}, year={2015}, pages={3266–3270} }' chicago: 'Linnemann, Julia, J. Giorgio, K. Wagner, G. Mathieson, G. G. Wallace, and D. L. Officer. “A Simple One Step Process for Enhancement of Titanium Foil Dye Sensitised Solar Cell Anodes.” Journal of Materials Chemistry A 3, no. 7 (2015): 3266–70. https://doi.org/10.1039/c4ta05407e.' ieee: 'J. Linnemann, J. Giorgio, K. Wagner, G. Mathieson, G. G. Wallace, and D. L. Officer, “A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes,” Journal of Materials Chemistry A, vol. 3, no. 7, pp. 3266–3270, 2015, doi: 10.1039/c4ta05407e.' mla: Linnemann, Julia, et al. “A Simple One Step Process for Enhancement of Titanium Foil Dye Sensitised Solar Cell Anodes.” Journal of Materials Chemistry A, vol. 3, no. 7, Royal Society of Chemistry (RSC), 2015, pp. 3266–70, doi:10.1039/c4ta05407e. short: J. Linnemann, J. Giorgio, K. Wagner, G. Mathieson, G.G. Wallace, D.L. Officer, Journal of Materials Chemistry A 3 (2015) 3266–3270. date_created: 2025-12-03T15:55:21Z date_updated: 2025-12-03T16:34:56Z department: - _id: '985' doi: 10.1039/c4ta05407e extern: '1' intvolume: ' 3' issue: '7' keyword: - dye sensitized solar cells - DSSCs language: - iso: eng page: 3266-3270 publication: Journal of Materials Chemistry A publication_identifier: issn: - 2050-7488 - 2050-7496 publication_status: published publisher: Royal Society of Chemistry (RSC) quality_controlled: '1' status: public title: A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes type: journal_article user_id: '116779' volume: 3 year: '2015' ... --- _id: '10030' abstract: - lang: eng text: The vibrational properties of stoichiometric LiNbO3 are analyzed within density-functional perturbation theory in order to obtain the complete phonon dispersion of the material. The phonon density of states of the ferroelectric (paraelectric) phase shows two (one) distinct band gaps separating the high-frequency (~800 cm−1) optical branches from the continuum of acoustic and lower optical phonon states. This result leads to specific heat capacites in close agreement with experimental measurements in the range 0–350 K and a Debye temperature of 574 K. The calculated zero-point renormalization of the electronic Kohn–Sham eigenvalues reveals a strong dependence on the phonon wave vectors, especially near Γ. Integrated over all phonon modes, our results indicate a vibrational correction of the electronic band gap of 0.41 eV at 0 K, which is in excellent agreement with the extrapolated temperature-dependent measurements. article_number: '385402' article_type: original author: - first_name: Michael full_name: Friedrich, Michael last_name: Friedrich - first_name: Arthur full_name: Riefer, Arthur last_name: Riefer - first_name: Simone full_name: Sanna, Simone last_name: Sanna - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Arno full_name: Schindlmayr, Arno id: '458' last_name: Schindlmayr orcid: 0000-0002-4855-071X citation: ama: 'Friedrich M, Riefer A, Sanna S, Schmidt WG, Schindlmayr A. Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. Journal of Physics: Condensed Matter. 2015;27(38). doi:10.1088/0953-8984/27/38/385402' apa: 'Friedrich, M., Riefer, A., Sanna, S., Schmidt, W. G., & Schindlmayr, A. (2015). Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. Journal of Physics: Condensed Matter, 27(38), Article 385402. https://doi.org/10.1088/0953-8984/27/38/385402' bibtex: '@article{Friedrich_Riefer_Sanna_Schmidt_Schindlmayr_2015, title={Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory}, volume={27}, DOI={10.1088/0953-8984/27/38/385402}, number={38385402}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Friedrich, Michael and Riefer, Arthur and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2015} }' chicago: 'Friedrich, Michael, Arthur Riefer, Simone Sanna, Wolf Gero Schmidt, and Arno Schindlmayr. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3 from Density-Functional Perturbation Theory.” Journal of Physics: Condensed Matter 27, no. 38 (2015). https://doi.org/10.1088/0953-8984/27/38/385402.' ieee: 'M. Friedrich, A. Riefer, S. Sanna, W. G. Schmidt, and A. Schindlmayr, “Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory,” Journal of Physics: Condensed Matter, vol. 27, no. 38, Art. no. 385402, 2015, doi: 10.1088/0953-8984/27/38/385402.' mla: 'Friedrich, Michael, et al. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3 from Density-Functional Perturbation Theory.” Journal of Physics: Condensed Matter, vol. 27, no. 38, 385402, IOP Publishing, 2015, doi:10.1088/0953-8984/27/38/385402.' short: 'M. Friedrich, A. Riefer, S. Sanna, W.G. Schmidt, A. Schindlmayr, Journal of Physics: Condensed Matter 27 (2015).' date_created: 2019-05-29T08:41:18Z date_updated: 2025-12-05T10:00:42Z ddc: - '530' department: - _id: '295' - _id: '296' - _id: '230' - _id: '429' - _id: '15' - _id: '35' - _id: '27' doi: 10.1088/0953-8984/27/38/385402 external_id: isi: - '000362549700004' pmid: - '26337951' file: - access_level: closed content_type: application/pdf creator: schindlm date_created: 2020-08-28T14:24:23Z date_updated: 2020-08-30T14:46:56Z description: © 2015 IOP Publishing Ltd file_id: '18578' file_name: Friedrich_2015_J._Phys. _Condens._Matter_27_385402.pdf file_size: 1793430 relation: main_file title: Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory file_date_updated: 2020-08-30T14:46:56Z has_accepted_license: '1' intvolume: ' 27' isi: '1' issue: '38' language: - iso: eng pmid: '1' project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '53' name: TRR 142 - _id: '55' name: TRR 142 - Project Area B - _id: '69' name: TRR 142 - Subproject B4 - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: 'Journal of Physics: Condensed Matter' publication_identifier: eissn: - 1361-648X issn: - 0953-8984 publication_status: published publisher: IOP Publishing quality_controlled: '1' status: public title: Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory type: journal_article user_id: '16199' volume: 27 year: '2015' ... --- _id: '13493' author: - first_name: Stefan full_name: Müllegger, Stefan last_name: Müllegger - first_name: Eva full_name: Rauls, Eva last_name: Rauls - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: Stefano full_name: Tebi, Stefano last_name: Tebi - first_name: Giulia full_name: Serrano, Giulia last_name: Serrano - first_name: Stefan full_name: Wiespointner-Baumgarthuber, Stefan last_name: Wiespointner-Baumgarthuber - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Reinhold full_name: Koch, Reinhold last_name: Koch citation: ama: Müllegger S, Rauls E, Gerstmann U, et al. Mechanism for nuclear and electron spin excitation by radio frequency current. Physical Review B. 2015;92(22). doi:10.1103/physrevb.92.220418 apa: Müllegger, S., Rauls, E., Gerstmann, U., Tebi, S., Serrano, G., Wiespointner-Baumgarthuber, S., Schmidt, W. G., & Koch, R. (2015). Mechanism for nuclear and electron spin excitation by radio frequency current. Physical Review B, 92(22). https://doi.org/10.1103/physrevb.92.220418 bibtex: '@article{Müllegger_Rauls_Gerstmann_Tebi_Serrano_Wiespointner-Baumgarthuber_Schmidt_Koch_2015, title={Mechanism for nuclear and electron spin excitation by radio frequency current}, volume={92}, DOI={10.1103/physrevb.92.220418}, number={22}, journal={Physical Review B}, author={Müllegger, Stefan and Rauls, Eva and Gerstmann, Uwe and Tebi, Stefano and Serrano, Giulia and Wiespointner-Baumgarthuber, Stefan and Schmidt, Wolf Gero and Koch, Reinhold}, year={2015} }' chicago: Müllegger, Stefan, Eva Rauls, Uwe Gerstmann, Stefano Tebi, Giulia Serrano, Stefan Wiespointner-Baumgarthuber, Wolf Gero Schmidt, and Reinhold Koch. “Mechanism for Nuclear and Electron Spin Excitation by Radio Frequency Current.” Physical Review B 92, no. 22 (2015). https://doi.org/10.1103/physrevb.92.220418. ieee: 'S. Müllegger et al., “Mechanism for nuclear and electron spin excitation by radio frequency current,” Physical Review B, vol. 92, no. 22, 2015, doi: 10.1103/physrevb.92.220418.' mla: Müllegger, Stefan, et al. “Mechanism for Nuclear and Electron Spin Excitation by Radio Frequency Current.” Physical Review B, vol. 92, no. 22, 2015, doi:10.1103/physrevb.92.220418. short: S. Müllegger, E. Rauls, U. Gerstmann, S. Tebi, G. Serrano, S. Wiespointner-Baumgarthuber, W.G. Schmidt, R. Koch, Physical Review B 92 (2015). date_created: 2019-09-30T12:31:01Z date_updated: 2025-12-05T10:20:23Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '790' - _id: '230' - _id: '27' doi: 10.1103/physrevb.92.220418 intvolume: ' 92' issue: '22' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Physical Review B publication_identifier: issn: - 1098-0121 - 1550-235X publication_status: published status: public title: Mechanism for nuclear and electron spin excitation by radio frequency current type: journal_article user_id: '16199' volume: 92 year: '2015' ... --- _id: '13496' author: - first_name: F. full_name: Edler, F. last_name: Edler - first_name: I. full_name: Miccoli, I. last_name: Miccoli - first_name: S. full_name: Demuth, S. last_name: Demuth - first_name: H. full_name: Pfnür, H. last_name: Pfnür - first_name: S. full_name: Wippermann, S. last_name: Wippermann - first_name: A. full_name: Lücke, A. last_name: Lücke - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: C. full_name: Tegenkamp, C. last_name: Tegenkamp citation: ama: Edler F, Miccoli I, Demuth S, et al. Interwire coupling forIn(4×1)/Si(111) probed by surface transport. Physical Review B. 2015;92(8). doi:10.1103/physrevb.92.085426 apa: Edler, F., Miccoli, I., Demuth, S., Pfnür, H., Wippermann, S., Lücke, A., Schmidt, W. G., & Tegenkamp, C. (2015). Interwire coupling forIn(4×1)/Si(111) probed by surface transport. Physical Review B, 92(8). https://doi.org/10.1103/physrevb.92.085426 bibtex: '@article{Edler_Miccoli_Demuth_Pfnür_Wippermann_Lücke_Schmidt_Tegenkamp_2015, title={Interwire coupling forIn(4×1)/Si(111) probed by surface transport}, volume={92}, DOI={10.1103/physrevb.92.085426}, number={8}, journal={Physical Review B}, author={Edler, F. and Miccoli, I. and Demuth, S. and Pfnür, H. and Wippermann, S. and Lücke, A. and Schmidt, Wolf Gero and Tegenkamp, C.}, year={2015} }' chicago: Edler, F., I. Miccoli, S. Demuth, H. Pfnür, S. Wippermann, A. Lücke, Wolf Gero Schmidt, and C. Tegenkamp. “Interwire Coupling ForIn(4×1)/Si(111) Probed by Surface Transport.” Physical Review B 92, no. 8 (2015). https://doi.org/10.1103/physrevb.92.085426. ieee: 'F. Edler et al., “Interwire coupling forIn(4×1)/Si(111) probed by surface transport,” Physical Review B, vol. 92, no. 8, 2015, doi: 10.1103/physrevb.92.085426.' mla: Edler, F., et al. “Interwire Coupling ForIn(4×1)/Si(111) Probed by Surface Transport.” Physical Review B, vol. 92, no. 8, 2015, doi:10.1103/physrevb.92.085426. short: F. Edler, I. Miccoli, S. Demuth, H. Pfnür, S. Wippermann, A. Lücke, W.G. Schmidt, C. Tegenkamp, Physical Review B 92 (2015). date_created: 2019-09-30T12:44:24Z date_updated: 2025-12-05T10:18:45Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '230' - _id: '35' - _id: '27' doi: 10.1103/physrevb.92.085426 funded_apc: '1' intvolume: ' 92' issue: '8' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Physical Review B publication_identifier: issn: - 1098-0121 - 1550-235X publication_status: published status: public title: Interwire coupling forIn(4×1)/Si(111) probed by surface transport type: journal_article user_id: '16199' volume: 92 year: '2015' ... --- _id: '13495' author: - first_name: Hazem full_name: Aldahhak, Hazem id: '26687' last_name: Aldahhak - first_name: E. full_name: Rauls, E. last_name: Rauls - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Aldahhak H, Rauls E, Schmidt WG. Diindenoperylene adsorption on Cu(111) studied with density-functional theory. Surface Science. Published online 2015:260-265. doi:10.1016/j.susc.2015.03.007 apa: Aldahhak, H., Rauls, E., & Schmidt, W. G. (2015). Diindenoperylene adsorption on Cu(111) studied with density-functional theory. Surface Science, 260–265. https://doi.org/10.1016/j.susc.2015.03.007 bibtex: '@article{Aldahhak_Rauls_Schmidt_2015, title={Diindenoperylene adsorption on Cu(111) studied with density-functional theory}, DOI={10.1016/j.susc.2015.03.007}, journal={Surface Science}, author={Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2015}, pages={260–265} }' chicago: Aldahhak, Hazem, E. Rauls, and Wolf Gero Schmidt. “Diindenoperylene Adsorption on Cu(111) Studied with Density-Functional Theory.” Surface Science, 2015, 260–65. https://doi.org/10.1016/j.susc.2015.03.007. ieee: 'H. Aldahhak, E. Rauls, and W. G. Schmidt, “Diindenoperylene adsorption on Cu(111) studied with density-functional theory,” Surface Science, pp. 260–265, 2015, doi: 10.1016/j.susc.2015.03.007.' mla: Aldahhak, Hazem, et al. “Diindenoperylene Adsorption on Cu(111) Studied with Density-Functional Theory.” Surface Science, 2015, pp. 260–65, doi:10.1016/j.susc.2015.03.007. short: H. Aldahhak, E. Rauls, W.G. Schmidt, Surface Science (2015) 260–265. date_created: 2019-09-30T12:42:43Z date_updated: 2025-12-05T10:19:11Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1016/j.susc.2015.03.007 language: - iso: eng page: 260-265 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Surface Science publication_identifier: issn: - 0039-6028 publication_status: published status: public title: Diindenoperylene adsorption on Cu(111) studied with density-functional theory type: journal_article user_id: '16199' year: '2015' ... --- _id: '13494' author: - first_name: Hazem full_name: Aldahhak, Hazem last_name: Aldahhak - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: E. full_name: Rauls, E. last_name: Rauls citation: ama: Aldahhak H, Schmidt WG, Rauls E. Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces. Surface Science. Published online 2015:278-281. doi:10.1016/j.susc.2015.01.013 apa: Aldahhak, H., Schmidt, W. G., & Rauls, E. (2015). Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces. Surface Science, 278–281. https://doi.org/10.1016/j.susc.2015.01.013 bibtex: '@article{Aldahhak_Schmidt_Rauls_2015, title={Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces}, DOI={10.1016/j.susc.2015.01.013}, journal={Surface Science}, author={Aldahhak, Hazem and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={278–281} }' chicago: Aldahhak, Hazem, Wolf Gero Schmidt, and E. Rauls. “Single PTCDA Molecules on Planar and Stepped KCl and NaCl(100) Surfaces.” Surface Science, 2015, 278–81. https://doi.org/10.1016/j.susc.2015.01.013. ieee: 'H. Aldahhak, W. G. Schmidt, and E. Rauls, “Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces,” Surface Science, pp. 278–281, 2015, doi: 10.1016/j.susc.2015.01.013.' mla: Aldahhak, Hazem, et al. “Single PTCDA Molecules on Planar and Stepped KCl and NaCl(100) Surfaces.” Surface Science, 2015, pp. 278–81, doi:10.1016/j.susc.2015.01.013. short: H. Aldahhak, W.G. Schmidt, E. Rauls, Surface Science (2015) 278–281. date_created: 2019-09-30T12:40:38Z date_updated: 2025-12-05T10:19:47Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1016/j.susc.2015.01.013 language: - iso: eng page: 278-281 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Surface Science publication_identifier: issn: - 0039-6028 publication_status: published status: public title: Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces type: journal_article user_id: '16199' year: '2015' ... --- _id: '13502' author: - first_name: C. full_name: Klein, C. last_name: Klein - first_name: N. J. full_name: Vollmers, N. J. last_name: Vollmers - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: P. full_name: Zahl, P. last_name: Zahl - first_name: D. full_name: Lükermann, D. last_name: Lükermann - first_name: G. full_name: Jnawali, G. last_name: Jnawali - first_name: H. full_name: Pfnür, H. last_name: Pfnür - first_name: C. full_name: Tegenkamp, C. last_name: Tegenkamp - first_name: P. full_name: Sutter, P. last_name: Sutter - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: M. full_name: Horn-von Hoegen, M. last_name: Horn-von Hoegen citation: ama: Klein C, Vollmers NJ, Gerstmann U, et al. Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films. Physical Review B. 2015;91(19). doi:10.1103/physrevb.91.195441 apa: Klein, C., Vollmers, N. J., Gerstmann, U., Zahl, P., Lükermann, D., Jnawali, G., Pfnür, H., Tegenkamp, C., Sutter, P., Schmidt, W. G., & Horn-von Hoegen, M. (2015). Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films. Physical Review B, 91(19). https://doi.org/10.1103/physrevb.91.195441 bibtex: '@article{Klein_Vollmers_Gerstmann_Zahl_Lükermann_Jnawali_Pfnür_Tegenkamp_Sutter_Schmidt_et al._2015, title={Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films}, volume={91}, DOI={10.1103/physrevb.91.195441}, number={19}, journal={Physical Review B}, author={Klein, C. and Vollmers, N. J. and Gerstmann, Uwe and Zahl, P. and Lükermann, D. and Jnawali, G. and Pfnür, H. and Tegenkamp, C. and Sutter, P. and Schmidt, Wolf Gero and et al.}, year={2015} }' chicago: Klein, C., N. J. Vollmers, Uwe Gerstmann, P. Zahl, D. Lükermann, G. Jnawali, H. Pfnür, et al. “Barrier-Free Subsurface Incorporation of 3d Metal Atoms into Bi(111) Films.” Physical Review B 91, no. 19 (2015). https://doi.org/10.1103/physrevb.91.195441. ieee: 'C. Klein et al., “Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films,” Physical Review B, vol. 91, no. 19, 2015, doi: 10.1103/physrevb.91.195441.' mla: Klein, C., et al. “Barrier-Free Subsurface Incorporation of 3d Metal Atoms into Bi(111) Films.” Physical Review B, vol. 91, no. 19, 2015, doi:10.1103/physrevb.91.195441. short: C. Klein, N.J. Vollmers, U. Gerstmann, P. Zahl, D. Lükermann, G. Jnawali, H. Pfnür, C. Tegenkamp, P. Sutter, W.G. Schmidt, M. Horn-von Hoegen, Physical Review B 91 (2015). date_created: 2019-09-30T13:01:01Z date_updated: 2025-12-05T10:38:18Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '35' - _id: '230' - _id: '27' doi: 10.1103/physrevb.91.195441 funded_apc: '1' intvolume: ' 91' issue: '19' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Physical Review B publication_identifier: issn: - 1098-0121 - 1550-235X publication_status: published status: public title: Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films type: journal_article user_id: '16199' volume: 91 year: '2015' ... --- _id: '13504' author: - first_name: S. full_name: Sanna, S. last_name: Sanna - first_name: C. full_name: Dues, C. last_name: Dues - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Sanna S, Dues C, Schmidt WG. Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles. Computational Materials Science. 2015;103:145-150. doi:10.1016/j.commatsci.2015.03.025 apa: Sanna, S., Dues, C., & Schmidt, W. G. (2015). Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles. Computational Materials Science, 103, 145–150. https://doi.org/10.1016/j.commatsci.2015.03.025 bibtex: '@article{Sanna_Dues_Schmidt_2015, title={Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles}, volume={103}, DOI={10.1016/j.commatsci.2015.03.025}, journal={Computational Materials Science}, author={Sanna, S. and Dues, C. and Schmidt, Wolf Gero}, year={2015}, pages={145–150} }' chicago: 'Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.” Computational Materials Science 103 (2015): 145–50. https://doi.org/10.1016/j.commatsci.2015.03.025.' ieee: 'S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles,” Computational Materials Science, vol. 103, pp. 145–150, 2015, doi: 10.1016/j.commatsci.2015.03.025.' mla: Sanna, S., et al. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.” Computational Materials Science, vol. 103, 2015, pp. 145–50, doi:10.1016/j.commatsci.2015.03.025. short: S. Sanna, C. Dues, W.G. Schmidt, Computational Materials Science 103 (2015) 145–150. date_created: 2019-09-30T13:06:04Z date_updated: 2025-12-05T10:37:16Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '429' - _id: '27' doi: 10.1016/j.commatsci.2015.03.025 intvolume: ' 103' language: - iso: eng page: 145-150 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '53' name: TRR 142 - _id: '55' name: TRR 142 - Project Area B - _id: '68' name: TRR 142 - Subproject B3 - _id: '69' name: TRR 142 - Subproject B4 - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' publication: Computational Materials Science publication_identifier: issn: - 0927-0256 publication_status: published status: public title: Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles type: journal_article user_id: '16199' volume: 103 year: '2015' ... --- _id: '13505' abstract: - lang: eng text:

First-principles calculations were combined with scanning tunneling microscopy (STM) measurements to analyze the adsorption of diindenoperylene (DIP) molecules on Cu(111) surfaces.

author: - first_name: Hazem full_name: Aldahhak, Hazem id: '26687' last_name: Aldahhak - first_name: S. full_name: Matencio, S. last_name: Matencio - first_name: E. full_name: Barrena, E. last_name: Barrena - first_name: C. full_name: Ocal, C. last_name: Ocal - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: E. full_name: Rauls, E. last_name: Rauls citation: ama: Aldahhak H, Matencio S, Barrena E, Ocal C, Schmidt WG, Rauls E. Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics. 2015;17:8776-8783. doi:10.1039/c4cp05271d apa: Aldahhak, H., Matencio, S., Barrena, E., Ocal, C., Schmidt, W. G., & Rauls, E. (2015). Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics, 17, 8776–8783. https://doi.org/10.1039/c4cp05271d bibtex: '@article{Aldahhak_Matencio_Barrena_Ocal_Schmidt_Rauls_2015, title={Structure formation in diindenoperylene thin films on copper(111)}, volume={17}, DOI={10.1039/c4cp05271d}, journal={Physical Chemistry Chemical Physics}, author={Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={8776–8783} }' chicago: 'Aldahhak, Hazem, S. Matencio, E. Barrena, C. Ocal, Wolf Gero Schmidt, and E. Rauls. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics 17 (2015): 8776–83. https://doi.org/10.1039/c4cp05271d.' ieee: 'H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W. G. Schmidt, and E. Rauls, “Structure formation in diindenoperylene thin films on copper(111),” Physical Chemistry Chemical Physics, vol. 17, pp. 8776–8783, 2015, doi: 10.1039/c4cp05271d.' mla: Aldahhak, Hazem, et al. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics, vol. 17, 2015, pp. 8776–83, doi:10.1039/c4cp05271d. short: H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W.G. Schmidt, E. Rauls, Physical Chemistry Chemical Physics 17 (2015) 8776–8783. date_created: 2019-09-30T13:15:09Z date_updated: 2025-12-05T10:36:44Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' doi: 10.1039/c4cp05271d intvolume: ' 17' language: - iso: eng page: 8776-8783 publication: Physical Chemistry Chemical Physics publication_identifier: issn: - 1463-9076 - 1463-9084 publication_status: published status: public title: Structure formation in diindenoperylene thin films on copper(111) type: journal_article user_id: '16199' volume: 17 year: '2015' ... --- _id: '13506' author: - first_name: A. full_name: Sanson, A. last_name: Sanson - first_name: A. full_name: Zaltron, A. last_name: Zaltron - first_name: N. full_name: Argiolas, N. last_name: Argiolas - first_name: C. full_name: Sada, C. last_name: Sada - first_name: M. full_name: Bazzan, M. last_name: Bazzan - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: S. full_name: Sanna, S. last_name: Sanna citation: ama: Sanson A, Zaltron A, Argiolas N, et al. Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals. Physical Review B. 2015;91. doi:10.1103/physrevb.91.094109 apa: Sanson, A., Zaltron, A., Argiolas, N., Sada, C., Bazzan, M., Schmidt, W. G., & Sanna, S. (2015). Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals. Physical Review B, 91. https://doi.org/10.1103/physrevb.91.094109 bibtex: '@article{Sanson_Zaltron_Argiolas_Sada_Bazzan_Schmidt_Sanna_2015, title={Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals}, volume={91}, DOI={10.1103/physrevb.91.094109}, journal={Physical Review B}, author={Sanson, A. and Zaltron, A. and Argiolas, N. and Sada, C. and Bazzan, M. and Schmidt, Wolf Gero and Sanna, S.}, year={2015} }' chicago: Sanson, A., A. Zaltron, N. Argiolas, C. Sada, M. Bazzan, Wolf Gero Schmidt, and S. Sanna. “Polaronic Deformation at TheFe2+/3+impurity Site InFe:LiNbO3crystals.” Physical Review B 91 (2015). https://doi.org/10.1103/physrevb.91.094109. ieee: 'A. Sanson et al., “Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals,” Physical Review B, vol. 91, 2015, doi: 10.1103/physrevb.91.094109.' mla: Sanson, A., et al. “Polaronic Deformation at TheFe2+/3+impurity Site InFe:LiNbO3crystals.” Physical Review B, vol. 91, 2015, doi:10.1103/physrevb.91.094109. short: A. Sanson, A. Zaltron, N. Argiolas, C. Sada, M. Bazzan, W.G. Schmidt, S. Sanna, Physical Review B 91 (2015). date_created: 2019-09-30T13:19:05Z date_updated: 2025-12-05T10:36:22Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '429' doi: 10.1103/physrevb.91.094109 intvolume: ' 91' language: - iso: eng project: - _id: '53' name: TRR 142 - _id: '55' name: TRR 142 - Project Area B - _id: '68' name: TRR 142 - Subproject B3 - _id: '69' name: TRR 142 - Subproject B4 - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' publication: Physical Review B publication_identifier: issn: - 1098-0121 - 1550-235X publication_status: published status: public title: Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals type: journal_article user_id: '16199' volume: 91 year: '2015' ... --- _id: '13500' author: - first_name: A. full_name: Lücke, A. last_name: Lücke - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: E. full_name: Rauls, E. last_name: Rauls - first_name: F. full_name: Ortmann, F. last_name: Ortmann - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: Lücke A, Schmidt WG, Rauls E, Ortmann F, Gerstmann U. Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT. The Journal of Physical Chemistry B. 2015;119:6481-6491. doi:10.1021/acs.jpcb.5b03615 apa: Lücke, A., Schmidt, W. G., Rauls, E., Ortmann, F., & Gerstmann, U. (2015). Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT. The Journal of Physical Chemistry B, 119, 6481–6491. https://doi.org/10.1021/acs.jpcb.5b03615 bibtex: '@article{Lücke_Schmidt_Rauls_Ortmann_Gerstmann_2015, title={Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT}, volume={119}, DOI={10.1021/acs.jpcb.5b03615}, journal={The Journal of Physical Chemistry B}, author={Lücke, A. and Schmidt, Wolf Gero and Rauls, E. and Ortmann, F. and Gerstmann, Uwe}, year={2015}, pages={6481–6491} }' chicago: 'Lücke, A., Wolf Gero Schmidt, E. Rauls, F. Ortmann, and Uwe Gerstmann. “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT.” The Journal of Physical Chemistry B 119 (2015): 6481–91. https://doi.org/10.1021/acs.jpcb.5b03615.' ieee: 'A. Lücke, W. G. Schmidt, E. Rauls, F. Ortmann, and U. Gerstmann, “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT,” The Journal of Physical Chemistry B, vol. 119, pp. 6481–6491, 2015, doi: 10.1021/acs.jpcb.5b03615.' mla: Lücke, A., et al. “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT.” The Journal of Physical Chemistry B, vol. 119, 2015, pp. 6481–91, doi:10.1021/acs.jpcb.5b03615. short: A. Lücke, W.G. Schmidt, E. Rauls, F. Ortmann, U. Gerstmann, The Journal of Physical Chemistry B 119 (2015) 6481–6491. date_created: 2019-09-30T12:55:43Z date_updated: 2025-12-05T10:38:44Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '790' - _id: '230' - _id: '27' doi: 10.1021/acs.jpcb.5b03615 intvolume: ' 119' language: - iso: eng page: 6481-6491 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: The Journal of Physical Chemistry B publication_identifier: issn: - 1520-6106 - 1520-5207 publication_status: published status: public title: Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT type: journal_article user_id: '16199' volume: 119 year: '2015' ... --- _id: '13503' abstract: - lang: eng text:

First-principles calculations were combined with scanning tunneling microscopy (STM) measurements to analyze the adsorption of diindenoperylene (DIP) molecules on Cu(111) surfaces.

author: - first_name: Hazem full_name: Aldahhak, Hazem last_name: Aldahhak - first_name: S. full_name: Matencio, S. last_name: Matencio - first_name: E. full_name: Barrena, E. last_name: Barrena - first_name: C. full_name: Ocal, C. last_name: Ocal - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: E. full_name: Rauls, E. last_name: Rauls citation: ama: Aldahhak H, Matencio S, Barrena E, Ocal C, Schmidt WG, Rauls E. Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics. 2015;17:8776-8783. doi:10.1039/c4cp05271d apa: Aldahhak, H., Matencio, S., Barrena, E., Ocal, C., Schmidt, W. G., & Rauls, E. (2015). Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics, 17, 8776–8783. https://doi.org/10.1039/c4cp05271d bibtex: '@article{Aldahhak_Matencio_Barrena_Ocal_Schmidt_Rauls_2015, title={Structure formation in diindenoperylene thin films on copper(111)}, volume={17}, DOI={10.1039/c4cp05271d}, journal={Physical Chemistry Chemical Physics}, author={Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={8776–8783} }' chicago: 'Aldahhak, Hazem, S. Matencio, E. Barrena, C. Ocal, Wolf Gero Schmidt, and E. Rauls. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics 17 (2015): 8776–83. https://doi.org/10.1039/c4cp05271d.' ieee: 'H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W. G. Schmidt, and E. Rauls, “Structure formation in diindenoperylene thin films on copper(111),” Physical Chemistry Chemical Physics, vol. 17, pp. 8776–8783, 2015, doi: 10.1039/c4cp05271d.' mla: Aldahhak, Hazem, et al. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics, vol. 17, 2015, pp. 8776–83, doi:10.1039/c4cp05271d. short: H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W.G. Schmidt, E. Rauls, Physical Chemistry Chemical Physics 17 (2015) 8776–8783. date_created: 2019-09-30T13:03:08Z date_updated: 2025-12-05T10:37:42Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' doi: 10.1039/c4cp05271d intvolume: ' 17' language: - iso: eng page: 8776-8783 publication: Physical Chemistry Chemical Physics publication_identifier: issn: - 1463-9076 - 1463-9084 publication_status: published status: public title: Structure formation in diindenoperylene thin films on copper(111) type: journal_article user_id: '16199' volume: 17 year: '2015' ... --- _id: '13499' author: - first_name: Peter full_name: Thissen, Peter last_name: Thissen - first_name: Ehud full_name: Fuchs, Ehud last_name: Fuchs - first_name: Katy full_name: Roodenko, Katy last_name: Roodenko - first_name: Tatiana full_name: Peixoto, Tatiana last_name: Peixoto - first_name: Ben full_name: Batchelor, Ben last_name: Batchelor - first_name: Dennis full_name: Smith, Dennis last_name: Smith - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Yves full_name: Chabal, Yves last_name: Chabal citation: ama: Thissen P, Fuchs E, Roodenko K, et al. Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol. The Journal of Physical Chemistry C. 2015;119:16947-16953. doi:10.1021/acs.jpcc.5b03816 apa: Thissen, P., Fuchs, E., Roodenko, K., Peixoto, T., Batchelor, B., Smith, D., Schmidt, W. G., & Chabal, Y. (2015). Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol. The Journal of Physical Chemistry C, 119, 16947–16953. https://doi.org/10.1021/acs.jpcc.5b03816 bibtex: '@article{Thissen_Fuchs_Roodenko_Peixoto_Batchelor_Smith_Schmidt_Chabal_2015, title={Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol}, volume={119}, DOI={10.1021/acs.jpcc.5b03816}, journal={The Journal of Physical Chemistry C}, author={Thissen, Peter and Fuchs, Ehud and Roodenko, Katy and Peixoto, Tatiana and Batchelor, Ben and Smith, Dennis and Schmidt, Wolf Gero and Chabal, Yves}, year={2015}, pages={16947–16953} }' chicago: 'Thissen, Peter, Ehud Fuchs, Katy Roodenko, Tatiana Peixoto, Ben Batchelor, Dennis Smith, Wolf Gero Schmidt, and Yves Chabal. “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol.” The Journal of Physical Chemistry C 119 (2015): 16947–53. https://doi.org/10.1021/acs.jpcc.5b03816.' ieee: 'P. Thissen et al., “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol,” The Journal of Physical Chemistry C, vol. 119, pp. 16947–16953, 2015, doi: 10.1021/acs.jpcc.5b03816.' mla: Thissen, Peter, et al. “Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol.” The Journal of Physical Chemistry C, vol. 119, 2015, pp. 16947–53, doi:10.1021/acs.jpcc.5b03816. short: P. Thissen, E. Fuchs, K. Roodenko, T. Peixoto, B. Batchelor, D. Smith, W.G. Schmidt, Y. Chabal, The Journal of Physical Chemistry C 119 (2015) 16947–16953. date_created: 2019-09-30T12:50:03Z date_updated: 2025-12-05T10:39:10Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' doi: 10.1021/acs.jpcc.5b03816 intvolume: ' 119' language: - iso: eng page: 16947-16953 publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published status: public title: Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol type: journal_article user_id: '16199' volume: 119 year: '2015' ... --- _id: '13507' author: - first_name: M. full_name: Landmann, M. last_name: Landmann - first_name: E. full_name: Rauls, E. last_name: Rauls - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: M. D. full_name: Neumann, M. D. last_name: Neumann - first_name: E. full_name: Speiser, E. last_name: Speiser - first_name: N. full_name: Esser, N. last_name: Esser citation: ama: 'Landmann M, Rauls E, Schmidt WG, Neumann MD, Speiser E, Esser N. GaNm-plane: Atomic structure, surface bands, and optical response. Physical Review B. 2015;91. doi:10.1103/physrevb.91.035302' apa: 'Landmann, M., Rauls, E., Schmidt, W. G., Neumann, M. D., Speiser, E., & Esser, N. (2015). GaNm-plane: Atomic structure, surface bands, and optical response. Physical Review B, 91. https://doi.org/10.1103/physrevb.91.035302' bibtex: '@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane: Atomic structure, surface bands, and optical response}, volume={91}, DOI={10.1103/physrevb.91.035302}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }' chicago: 'Landmann, M., E. Rauls, Wolf Gero Schmidt, M. D. Neumann, E. Speiser, and N. Esser. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.” Physical Review B 91 (2015). https://doi.org/10.1103/physrevb.91.035302.' ieee: 'M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser, “GaNm-plane: Atomic structure, surface bands, and optical response,” Physical Review B, vol. 91, 2015, doi: 10.1103/physrevb.91.035302.' mla: 'Landmann, M., et al. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.” Physical Review B, vol. 91, 2015, doi:10.1103/physrevb.91.035302.' short: M. Landmann, E. Rauls, W.G. Schmidt, M.D. Neumann, E. Speiser, N. Esser, Physical Review B 91 (2015). date_created: 2019-09-30T13:24:00Z date_updated: 2025-12-05T10:35:47Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '429' - _id: '27' doi: 10.1103/physrevb.91.035302 intvolume: ' 91' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '53' name: TRR 142 - _id: '55' name: TRR 142 - Project Area B - _id: '66' name: TRR 142 - Subproject B1 - _id: '69' name: TRR 142 - Subproject B4 publication: Physical Review B publication_identifier: issn: - 1098-0121 - 1550-235X publication_status: published status: public title: 'GaNm-plane: Atomic structure, surface bands, and optical response' type: journal_article user_id: '16199' volume: 91 year: '2015' ... --- _id: '13498' author: - first_name: Martin full_name: Rohrmüller, Martin last_name: Rohrmüller - first_name: Alexander full_name: Hoffmann, Alexander last_name: Hoffmann - first_name: Christian full_name: Thierfelder, Christian last_name: Thierfelder - first_name: Sonja full_name: Herres-Pawlis, Sonja last_name: Herres-Pawlis - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: 'Rohrmüller M, Hoffmann A, Thierfelder C, Herres-Pawlis S, Schmidt WG. The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†. Journal of Computational Chemistry. 2015;36(21-22):1672-1685. doi:10.1002/jcc.23983' apa: 'Rohrmüller, M., Hoffmann, A., Thierfelder, C., Herres-Pawlis, S., & Schmidt, W. G. (2015). The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†. Journal of Computational Chemistry, 36(21–22), 1672–1685. https://doi.org/10.1002/jcc.23983' bibtex: '@article{Rohrmüller_Hoffmann_Thierfelder_Herres-Pawlis_Schmidt_2015, title={The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†}, volume={36}, DOI={10.1002/jcc.23983}, number={21–22}, journal={Journal of Computational Chemistry}, author={Rohrmüller, Martin and Hoffmann, Alexander and Thierfelder, Christian and Herres-Pawlis, Sonja and Schmidt, Wolf Gero}, year={2015}, pages={1672–1685} }' chicago: 'Rohrmüller, Martin, Alexander Hoffmann, Christian Thierfelder, Sonja Herres-Pawlis, and Wolf Gero Schmidt. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations†.” Journal of Computational Chemistry 36, no. 21–22 (2015): 1672–85. https://doi.org/10.1002/jcc.23983.' ieee: 'M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, and W. G. Schmidt, “The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†,” Journal of Computational Chemistry, vol. 36, no. 21–22, pp. 1672–1685, 2015, doi: 10.1002/jcc.23983.' mla: 'Rohrmüller, Martin, et al. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations†.” Journal of Computational Chemistry, vol. 36, no. 21–22, 2015, pp. 1672–85, doi:10.1002/jcc.23983.' short: M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, W.G. Schmidt, Journal of Computational Chemistry 36 (2015) 1672–1685. date_created: 2019-09-30T12:48:40Z date_updated: 2025-12-05T10:39:31Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1002/jcc.23983 funded_apc: '1' intvolume: ' 36' issue: 21-22 language: - iso: eng page: 1672-1685 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Journal of Computational Chemistry publication_identifier: issn: - 0192-8651 publication_status: published status: public title: 'The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†' type: journal_article user_id: '16199' volume: 36 year: '2015' ... --- _id: '13497' author: - first_name: Amirreza full_name: Baghbanpourasl, Amirreza last_name: Baghbanpourasl - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Mariella full_name: Denk, Mariella last_name: Denk - first_name: Christoph full_name: Cobet, Christoph last_name: Cobet - first_name: Michael full_name: Hohage, Michael last_name: Hohage - first_name: Peter full_name: Zeppenfeld, Peter last_name: Zeppenfeld - first_name: Kurt full_name: Hingerl, Kurt last_name: Hingerl citation: ama: Baghbanpourasl A, Schmidt WG, Denk M, et al. Water adsorbate influence on the Cu(110) surface optical response. Surface Science. 2015;641:231-236. doi:10.1016/j.susc.2015.07.020 apa: Baghbanpourasl, A., Schmidt, W. G., Denk, M., Cobet, C., Hohage, M., Zeppenfeld, P., & Hingerl, K. (2015). Water adsorbate influence on the Cu(110) surface optical response. Surface Science, 641, 231–236. https://doi.org/10.1016/j.susc.2015.07.020 bibtex: '@article{Baghbanpourasl_Schmidt_Denk_Cobet_Hohage_Zeppenfeld_Hingerl_2015, title={Water adsorbate influence on the Cu(110) surface optical response}, volume={641}, DOI={10.1016/j.susc.2015.07.020}, journal={Surface Science}, author={Baghbanpourasl, Amirreza and Schmidt, Wolf Gero and Denk, Mariella and Cobet, Christoph and Hohage, Michael and Zeppenfeld, Peter and Hingerl, Kurt}, year={2015}, pages={231–236} }' chicago: 'Baghbanpourasl, Amirreza, Wolf Gero Schmidt, Mariella Denk, Christoph Cobet, Michael Hohage, Peter Zeppenfeld, and Kurt Hingerl. “Water Adsorbate Influence on the Cu(110) Surface Optical Response.” Surface Science 641 (2015): 231–36. https://doi.org/10.1016/j.susc.2015.07.020.' ieee: 'A. Baghbanpourasl et al., “Water adsorbate influence on the Cu(110) surface optical response,” Surface Science, vol. 641, pp. 231–236, 2015, doi: 10.1016/j.susc.2015.07.020.' mla: Baghbanpourasl, Amirreza, et al. “Water Adsorbate Influence on the Cu(110) Surface Optical Response.” Surface Science, vol. 641, 2015, pp. 231–36, doi:10.1016/j.susc.2015.07.020. short: A. Baghbanpourasl, W.G. Schmidt, M. Denk, C. Cobet, M. Hohage, P. Zeppenfeld, K. Hingerl, Surface Science 641 (2015) 231–236. date_created: 2019-09-30T12:45:59Z date_updated: 2025-12-05T10:39:53Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1016/j.susc.2015.07.020 intvolume: ' 641' language: - iso: eng page: 231-236 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Surface Science publication_identifier: issn: - 0039-6028 publication_status: published status: public title: Water adsorbate influence on the Cu(110) surface optical response type: journal_article user_id: '16199' volume: 641 year: '2015' ... --- _id: '4330' abstract: - lang: eng text: "Sources of single photons are key elements for applications in quantum information science.\r\nAmong the different sources available, semiconductor quantum dots excel with their\r\nintegrability in semiconductor on-chip solutions and the potential that photon emission can\r\nbe triggered on demand. Usually, the photon is emitted from a single-exciton ground state.\r\nPolarization of the photon and time of emission are either probabilistic or pre-determined by\r\nelectronic properties of the system. Here, we study the direct two-photon emission from the\r\nbiexciton. The two-photon emission is enabled by a laser pulse driving the system into a\r\nvirtual state inside the band gap. From this intermediate state, the single photon of interest\r\nis then spontaneously emitted. We show that emission through this higher-order\r\ntransition provides a versatile approach to generate a single photon. Through the driving\r\nlaser pulse, polarization state, frequency and emission time of the photon can be controlled\r\non-the-fly." article_type: original author: - first_name: Dirk full_name: Heinze, Dirk last_name: Heinze - first_name: Dominik full_name: Breddermann, Dominik last_name: Breddermann - first_name: Artur full_name: Zrenner, Artur id: '606' last_name: Zrenner orcid: 0000-0002-5190-0944 - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 citation: ama: Heinze D, Breddermann D, Zrenner A, Schumacher S. A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission. Nature Communications. 2015;6(1). doi:10.1038/ncomms9473 apa: Heinze, D., Breddermann, D., Zrenner, A., & Schumacher, S. (2015). A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission. Nature Communications, 6(1). https://doi.org/10.1038/ncomms9473 bibtex: '@article{Heinze_Breddermann_Zrenner_Schumacher_2015, title={A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission}, volume={6}, DOI={10.1038/ncomms9473}, number={1}, journal={Nature Communications}, publisher={Springer Nature}, author={Heinze, Dirk and Breddermann, Dominik and Zrenner, Artur and Schumacher, Stefan}, year={2015} }' chicago: Heinze, Dirk, Dominik Breddermann, Artur Zrenner, and Stefan Schumacher. “A Quantum Dot Single-Photon Source with on-the-Fly All-Optical Polarization Control and Timed Emission.” Nature Communications 6, no. 1 (2015). https://doi.org/10.1038/ncomms9473. ieee: 'D. Heinze, D. Breddermann, A. Zrenner, and S. Schumacher, “A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission,” Nature Communications, vol. 6, no. 1, 2015, doi: 10.1038/ncomms9473.' mla: Heinze, Dirk, et al. “A Quantum Dot Single-Photon Source with on-the-Fly All-Optical Polarization Control and Timed Emission.” Nature Communications, vol. 6, no. 1, Springer Nature, 2015, doi:10.1038/ncomms9473. short: D. Heinze, D. Breddermann, A. Zrenner, S. Schumacher, Nature Communications 6 (2015). date_created: 2018-08-30T13:07:30Z date_updated: 2025-12-05T14:45:38Z department: - _id: '15' - _id: '230' - _id: '35' - _id: '170' - _id: '429' doi: 10.1038/ncomms9473 intvolume: ' 6' issue: '1' language: - iso: eng project: - _id: '53' name: TRR 142 - _id: '54' name: TRR 142 - Project Area A - _id: '60' name: TRR 142 - Subproject A3 - _id: '53' name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen' publication: Nature Communications publication_identifier: issn: - 2041-1723 publication_status: published publisher: Springer Nature status: public title: A quantum dot single-photon source with on-the-fly all-optical polarization control and timed emission type: journal_article user_id: '16199' volume: 6 year: '2015' ... --- _id: '22946' abstract: - lang: eng text: The Kane–Mele model was previously used to describe effective spin–orbit couplings (SOCs) in graphene. Here we extend this model and also incorporate curvature effects to analyze the combined influence of SOC and curvature on the band structure of carbon nanotubes (CNTs). The extended model then reproduces the chirality-dependent asymmetric electron-hole splitting for semiconducting CNTs and in the band structure for metallic CNTs shows an opening of the band gap and a change of the Fermi wave vector with spin. For chiral semiconducting CNTs with large chiral angle we show that the spin-splitting configuration of bands near the Fermi energy depends on the value of $\text{mod}(2n+m,3)$ . article_number: '445501' author: - first_name: Hong full_name: Liu, Hong last_name: Liu - first_name: Dirk Florian full_name: Heinze, Dirk Florian id: '10904' last_name: Heinze - first_name: Huynh full_name: Thanh Duc, Huynh last_name: Thanh Duc - first_name: Stefan full_name: Schumacher, Stefan id: '27271' last_name: Schumacher orcid: 0000-0003-4042-4951 - first_name: Torsten full_name: Meier, Torsten id: '344' last_name: Meier orcid: 0000-0001-8864-2072 citation: ama: 'Liu H, Heinze DF, Thanh Duc H, Schumacher S, Meier T. Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. Journal of Physics: Condensed Matter. 2015;27(44). doi:10.1088/0953-8984/27/44/445501' apa: 'Liu, H., Heinze, D. F., Thanh Duc, H., Schumacher, S., & Meier, T. (2015). Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling. Journal of Physics: Condensed Matter, 27(44), Article 445501. https://doi.org/10.1088/0953-8984/27/44/445501' bibtex: '@article{Liu_Heinze_Thanh Duc_Schumacher_Meier_2015, title={Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling}, volume={27}, DOI={10.1088/0953-8984/27/44/445501}, number={44445501}, journal={Journal of Physics: Condensed Matter}, author={Liu, Hong and Heinze, Dirk Florian and Thanh Duc, Huynh and Schumacher, Stefan and Meier, Torsten}, year={2015} }' chicago: 'Liu, Hong, Dirk Florian Heinze, Huynh Thanh Duc, Stefan Schumacher, and Torsten Meier. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” Journal of Physics: Condensed Matter 27, no. 44 (2015). https://doi.org/10.1088/0953-8984/27/44/445501.' ieee: 'H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling,” Journal of Physics: Condensed Matter, vol. 27, no. 44, Art. no. 445501, 2015, doi: 10.1088/0953-8984/27/44/445501.' mla: 'Liu, Hong, et al. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” Journal of Physics: Condensed Matter, vol. 27, no. 44, 445501, 2015, doi:10.1088/0953-8984/27/44/445501.' short: 'H. Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics: Condensed Matter 27 (2015).' date_created: 2021-08-06T08:49:10Z date_updated: 2025-12-05T14:48:46Z department: - _id: '15' - _id: '170' - _id: '293' - _id: '297' - _id: '230' - _id: '35' - _id: '27' doi: 10.1088/0953-8984/27/44/445501 intvolume: ' 27' issue: '44' language: - iso: eng project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing - _id: '52' name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing' publication: 'Journal of Physics: Condensed Matter' publication_identifier: issn: - 0953-8984 - 1361-648X publication_status: published status: public title: Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling type: journal_article user_id: '16199' volume: 27 year: '2015' ...