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: '13818' author: - first_name: Adam full_name: Neuba, Adam last_name: Neuba - first_name: Martin full_name: Rohrmüller, Martin last_name: Rohrmüller - first_name: Rebecca full_name: Hölscher, Rebecca last_name: Hölscher - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Gerald full_name: Henkel, Gerald last_name: Henkel citation: ama: 'Neuba A, Rohrmüller M, Hölscher R, Schmidt WG, Henkel G. A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry. Inorganica Chimica Acta. 2015;430:225-238. doi:10.1016/j.ica.2015.03.015' apa: 'Neuba, A., Rohrmüller, M., Hölscher, R., Schmidt, W. G., & Henkel, G. (2015). A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry. Inorganica Chimica Acta, 430, 225–238. https://doi.org/10.1016/j.ica.2015.03.015' bibtex: '@article{Neuba_Rohrmüller_Hölscher_Schmidt_Henkel_2015, title={A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry}, volume={430}, DOI={10.1016/j.ica.2015.03.015}, journal={Inorganica Chimica Acta}, author={Neuba, Adam and Rohrmüller, Martin and Hölscher, Rebecca and Schmidt, Wolf Gero and Henkel, Gerald}, year={2015}, pages={225–238} }' chicago: 'Neuba, Adam, Martin Rohrmüller, Rebecca Hölscher, Wolf Gero Schmidt, and Gerald Henkel. “A Panel of Peralkylated Sulfur–Guanidine Type Bases: Novel pro-Ligands for Use in Biomimetic Coordination Chemistry.” Inorganica Chimica Acta 430 (2015): 225–38. https://doi.org/10.1016/j.ica.2015.03.015.' ieee: 'A. Neuba, M. Rohrmüller, R. Hölscher, W. G. Schmidt, and G. Henkel, “A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry,” Inorganica Chimica Acta, vol. 430, pp. 225–238, 2015, doi: 10.1016/j.ica.2015.03.015.' mla: 'Neuba, Adam, et al. “A Panel of Peralkylated Sulfur–Guanidine Type Bases: Novel pro-Ligands for Use in Biomimetic Coordination Chemistry.” Inorganica Chimica Acta, vol. 430, 2015, pp. 225–38, doi:10.1016/j.ica.2015.03.015.' short: A. Neuba, M. Rohrmüller, R. Hölscher, W.G. Schmidt, G. Henkel, Inorganica Chimica Acta 430 (2015) 225–238. date_created: 2019-10-15T06:33:12Z date_updated: 2025-12-16T07:53:28Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '2' - _id: '35' - _id: '230' - _id: '27' doi: 10.1016/j.ica.2015.03.015 funded_apc: '1' intvolume: ' 430' language: - iso: eng page: 225-238 project: - _id: '52' name: Computing Resources Provided by the Paderborn Center for Parallel Computing publication: Inorganica Chimica Acta publication_identifier: issn: - 0020-1693 publication_status: published status: public title: 'A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry' type: journal_article user_id: '16199' volume: 430 year: '2015' ... --- _id: '10035' article_number: '234113' author: - first_name: Yanlu full_name: Li, Yanlu last_name: Li - 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 citation: ama: Li Y, Sanna S, Schmidt WG. Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model. The Journal of Chemical Physics. 2014. doi:10.1063/1.4883737 apa: Li, Y., Sanna, S., & Schmidt, W. G. (2014). Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model. The Journal of Chemical Physics. https://doi.org/10.1063/1.4883737 bibtex: '@article{Li_Sanna_Schmidt_2014, title={Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model}, DOI={10.1063/1.4883737}, number={234113}, journal={The Journal of Chemical Physics}, author={Li, Yanlu and Sanna, Simone and Schmidt, Wolf Gero}, year={2014} }' chicago: Li, Yanlu, Simone Sanna, and Wolf Gero Schmidt. “Modeling Intrinsic Defects in LiNbO3 within the Slater-Janak Transition State Model.” The Journal of Chemical Physics, 2014. https://doi.org/10.1063/1.4883737. ieee: Y. Li, S. Sanna, and W. G. Schmidt, “Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model,” The Journal of Chemical Physics, 2014. mla: Li, Yanlu, et al. “Modeling Intrinsic Defects in LiNbO3 within the Slater-Janak Transition State Model.” The Journal of Chemical Physics, 234113, 2014, doi:10.1063/1.4883737. short: Y. Li, S. Sanna, W.G. Schmidt, The Journal of Chemical Physics (2014). date_created: 2019-05-29T08:55:30Z date_updated: 2022-01-06T06:50:27Z department: - _id: '15' doi: 10.1063/1.4883737 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: '69' name: TRR 142 - Subproject B4 publication: The Journal of Chemical Physics publication_identifier: issn: - 0021-9606 - 1089-7690 publication_status: published status: public title: Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model type: journal_article user_id: '16199' year: '2014' ... --- _id: '10036' author: - first_name: Rebecca full_name: Hölscher, Rebecca last_name: Hölscher - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Simone full_name: Sanna, Simone last_name: Sanna citation: ama: Hölscher R, Schmidt WG, Sanna S. Modeling LiNbO3 Surfaces at Ambient Conditions. The Journal of Physical Chemistry C. Published online 2014:10213-10220. doi:10.1021/jp502936f apa: Hölscher, R., Schmidt, W. G., & Sanna, S. (2014). Modeling LiNbO3 Surfaces at Ambient Conditions. The Journal of Physical Chemistry C, 10213–10220. https://doi.org/10.1021/jp502936f bibtex: '@article{Hölscher_Schmidt_Sanna_2014, title={Modeling LiNbO3 Surfaces at Ambient Conditions}, DOI={10.1021/jp502936f}, journal={The Journal of Physical Chemistry C}, author={Hölscher, Rebecca and Schmidt, Wolf Gero and Sanna, Simone}, year={2014}, pages={10213–10220} }' chicago: Hölscher, Rebecca, Wolf Gero Schmidt, and Simone Sanna. “Modeling LiNbO3 Surfaces at Ambient Conditions.” The Journal of Physical Chemistry C, 2014, 10213–20. https://doi.org/10.1021/jp502936f. ieee: 'R. Hölscher, W. G. Schmidt, and S. Sanna, “Modeling LiNbO3 Surfaces at Ambient Conditions,” The Journal of Physical Chemistry C, pp. 10213–10220, 2014, doi: 10.1021/jp502936f.' mla: Hölscher, Rebecca, et al. “Modeling LiNbO3 Surfaces at Ambient Conditions.” The Journal of Physical Chemistry C, 2014, pp. 10213–20, doi:10.1021/jp502936f. short: R. Hölscher, W.G. Schmidt, S. Sanna, The Journal of Physical Chemistry C (2014) 10213–10220. date_created: 2019-05-29T08:56:42Z date_updated: 2025-12-05T09:57:24Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '429' - _id: '27' doi: 10.1021/jp502936f funded_apc: '1' language: - iso: eng page: 10213-10220 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: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published status: public title: Modeling LiNbO3 Surfaces at Ambient Conditions type: journal_article user_id: '16199' year: '2014' ... --- _id: '13510' author: - first_name: Alexander full_name: Hoffmann, Alexander last_name: Hoffmann - first_name: Martin full_name: Rohrmüller, Martin last_name: Rohrmüller - first_name: Anton full_name: Jesser, Anton last_name: Jesser - first_name: Ines full_name: dos Santos Vieira, Ines last_name: dos Santos Vieira - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Sonja full_name: Herres-Pawlis, Sonja last_name: Herres-Pawlis citation: ama: 'Hoffmann A, Rohrmüller M, Jesser A, dos Santos Vieira I, Schmidt WG, Herres-Pawlis S. Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II). Journal of Computational Chemistry. 2014;35(29-30):2146-2161. doi:10.1002/jcc.23740' apa: 'Hoffmann, A., Rohrmüller, M., Jesser, A., dos Santos Vieira, I., Schmidt, W. G., & Herres-Pawlis, S. (2014). Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II). Journal of Computational Chemistry, 35(29–30), 2146–2161. https://doi.org/10.1002/jcc.23740' bibtex: '@article{Hoffmann_Rohrmüller_Jesser_dos Santos Vieira_Schmidt_Herres-Pawlis_2014, title={Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)}, volume={35}, DOI={10.1002/jcc.23740}, number={29–30}, journal={Journal of Computational Chemistry}, author={Hoffmann, Alexander and Rohrmüller, Martin and Jesser, Anton and dos Santos Vieira, Ines and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}, year={2014}, pages={2146–2161} }' chicago: 'Hoffmann, Alexander, Martin Rohrmüller, Anton Jesser, Ines dos Santos Vieira, Wolf Gero Schmidt, and Sonja Herres-Pawlis. “Geometrical and Optical Benchmarking of Copper(II) Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory (Part II).” Journal of Computational Chemistry 35, no. 29–30 (2014): 2146–61. https://doi.org/10.1002/jcc.23740.' ieee: 'A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W. G. Schmidt, and S. Herres-Pawlis, “Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II),” Journal of Computational Chemistry, vol. 35, no. 29–30, pp. 2146–2161, 2014, doi: 10.1002/jcc.23740.' mla: 'Hoffmann, Alexander, et al. “Geometrical and Optical Benchmarking of Copper(II) Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory (Part II).” Journal of Computational Chemistry, vol. 35, no. 29–30, 2014, pp. 2146–61, doi:10.1002/jcc.23740.' short: A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 35 (2014) 2146–2161. date_created: 2019-09-30T13:29:41Z date_updated: 2025-12-05T10:34:29Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '2' - _id: '35' - _id: '230' - _id: '27' doi: 10.1002/jcc.23740 intvolume: ' 35' issue: 29-30 language: - iso: eng page: 2146-2161 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: 'Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)' type: journal_article user_id: '16199' volume: 35 year: '2014' ... --- _id: '13509' author: - first_name: Deok Mahn full_name: Oh, Deok Mahn last_name: Oh - first_name: S. full_name: Wippermann, S. last_name: Wippermann - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Han Woong full_name: Yeom, Han Woong last_name: Yeom citation: ama: 'Oh DM, Wippermann S, Schmidt WG, Yeom HW. Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations. Physical Review B. 2014;90(15). doi:10.1103/physrevb.90.155432' apa: 'Oh, D. M., Wippermann, S., Schmidt, W. G., & Yeom, H. W. (2014). Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations. Physical Review B, 90(15). https://doi.org/10.1103/physrevb.90.155432' bibtex: '@article{Oh_Wippermann_Schmidt_Yeom_2014, title={Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations}, volume={90}, DOI={10.1103/physrevb.90.155432}, number={15}, journal={Physical Review B}, author={Oh, Deok Mahn and Wippermann, S. and Schmidt, Wolf Gero and Yeom, Han Woong}, year={2014} }' chicago: 'Oh, Deok Mahn, S. Wippermann, Wolf Gero Schmidt, and Han Woong Yeom. “Oxygen Adsorbates on the Si(111)4×1-In Metallic Atomic Wire: Scanning Tunneling Microscopy and Density-Functional Theory Calculations.” Physical Review B 90, no. 15 (2014). https://doi.org/10.1103/physrevb.90.155432.' ieee: 'D. M. Oh, S. Wippermann, W. G. Schmidt, and H. W. Yeom, “Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations,” Physical Review B, vol. 90, no. 15, 2014, doi: 10.1103/physrevb.90.155432.' mla: 'Oh, Deok Mahn, et al. “Oxygen Adsorbates on the Si(111)4×1-In Metallic Atomic Wire: Scanning Tunneling Microscopy and Density-Functional Theory Calculations.” Physical Review B, vol. 90, no. 15, 2014, doi:10.1103/physrevb.90.155432.' short: D.M. Oh, S. Wippermann, W.G. Schmidt, H.W. Yeom, Physical Review B 90 (2014). date_created: 2019-09-30T13:27:45Z date_updated: 2025-12-05T10:34:49Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1103/physrevb.90.155432 intvolume: ' 90' issue: '15' 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: 'Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations' type: journal_article user_id: '16199' volume: 90 year: '2014' ... --- _id: '13511' article_number: '253201' author: - first_name: M full_name: Landmann, M last_name: Landmann - first_name: T full_name: Köhler, T last_name: Köhler - first_name: E full_name: Rauls, E last_name: Rauls - first_name: T full_name: Frauenheim, T last_name: Frauenheim - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: 'Landmann M, Köhler T, Rauls E, Frauenheim T, Schmidt WG. The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides. Journal of Physics: Condensed Matter. 2014;26. doi:10.1088/0953-8984/26/25/253201' apa: 'Landmann, M., Köhler, T., Rauls, E., Frauenheim, T., & Schmidt, W. G. (2014). The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides. Journal of Physics: Condensed Matter, 26, Article 253201. https://doi.org/10.1088/0953-8984/26/25/253201' bibtex: '@article{Landmann_Köhler_Rauls_Frauenheim_Schmidt_2014, title={The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides}, volume={26}, DOI={10.1088/0953-8984/26/25/253201}, number={253201}, journal={Journal of Physics: Condensed Matter}, author={Landmann, M and Köhler, T and Rauls, E and Frauenheim, T and Schmidt, Wolf Gero}, year={2014} }' chicago: 'Landmann, M, T Köhler, E Rauls, T Frauenheim, and Wolf Gero Schmidt. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” Journal of Physics: Condensed Matter 26 (2014). https://doi.org/10.1088/0953-8984/26/25/253201.' ieee: 'M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides,” Journal of Physics: Condensed Matter, vol. 26, Art. no. 253201, 2014, doi: 10.1088/0953-8984/26/25/253201.' mla: 'Landmann, M., et al. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” Journal of Physics: Condensed Matter, vol. 26, 253201, 2014, doi:10.1088/0953-8984/26/25/253201.' short: 'M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, W.G. Schmidt, Journal of Physics: Condensed Matter 26 (2014).' date_created: 2019-09-30T13:31:47Z date_updated: 2025-12-05T10:34:00Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1088/0953-8984/26/25/253201 intvolume: ' 26' language: - iso: eng project: - _id: '52' name: 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: The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides type: journal_article user_id: '16199' volume: 26 year: '2014' ... --- _id: '13513' author: - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X - first_name: N. J. full_name: Vollmers, N. J. last_name: Vollmers - first_name: A. full_name: Lücke, A. last_name: Lücke - first_name: M. full_name: Babilon, M. last_name: Babilon - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: Gerstmann U, Vollmers NJ, Lücke A, Babilon M, Schmidt WG. Rashba splitting and relativistic energy shifts in In/Si(111) nanowires. Physical Review B. 2014;89(16). doi:10.1103/physrevb.89.165431 apa: Gerstmann, U., Vollmers, N. J., Lücke, A., Babilon, M., & Schmidt, W. G. (2014). Rashba splitting and relativistic energy shifts in In/Si(111) nanowires. Physical Review B, 89(16). https://doi.org/10.1103/physrevb.89.165431 bibtex: '@article{Gerstmann_Vollmers_Lücke_Babilon_Schmidt_2014, title={Rashba splitting and relativistic energy shifts in In/Si(111) nanowires}, volume={89}, DOI={10.1103/physrevb.89.165431}, number={16}, journal={Physical Review B}, author={Gerstmann, Uwe and Vollmers, N. J. and Lücke, A. and Babilon, M. and Schmidt, Wolf Gero}, year={2014} }' chicago: Gerstmann, Uwe, N. J. Vollmers, A. Lücke, M. Babilon, and Wolf Gero Schmidt. “Rashba Splitting and Relativistic Energy Shifts in In/Si(111) Nanowires.” Physical Review B 89, no. 16 (2014). https://doi.org/10.1103/physrevb.89.165431. ieee: 'U. Gerstmann, N. J. Vollmers, A. Lücke, M. Babilon, and W. G. Schmidt, “Rashba splitting and relativistic energy shifts in In/Si(111) nanowires,” Physical Review B, vol. 89, no. 16, 2014, doi: 10.1103/physrevb.89.165431.' mla: Gerstmann, Uwe, et al. “Rashba Splitting and Relativistic Energy Shifts in In/Si(111) Nanowires.” Physical Review B, vol. 89, no. 16, 2014, doi:10.1103/physrevb.89.165431. short: U. Gerstmann, N.J. Vollmers, A. Lücke, M. Babilon, W.G. Schmidt, Physical Review B 89 (2014). date_created: 2019-09-30T13:36:43Z date_updated: 2025-12-05T10:33:07Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '790' - _id: '230' - _id: '27' doi: 10.1103/physrevb.89.165431 intvolume: ' 89' issue: '16' 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: Rashba splitting and relativistic energy shifts in In/Si(111) nanowires type: journal_article user_id: '16199' volume: 89 year: '2014' ... --- _id: '13516' author: - first_name: S. full_name: Sanna, S. last_name: Sanna - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: S. full_name: Rode, S. last_name: Rode - first_name: S. full_name: Klassen, S. last_name: Klassen - first_name: A. full_name: Kühnle, A. last_name: Kühnle citation: ama: Sanna S, Schmidt WG, Rode S, Klassen S, Kühnle A. Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory. Physical Review B. 2014;89(7). doi:10.1103/physrevb.89.075403 apa: Sanna, S., Schmidt, W. G., Rode, S., Klassen, S., & Kühnle, A. (2014). Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory. Physical Review B, 89(7). https://doi.org/10.1103/physrevb.89.075403 bibtex: '@article{Sanna_Schmidt_Rode_Klassen_Kühnle_2014, title={Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory}, volume={89}, DOI={10.1103/physrevb.89.075403}, number={7}, journal={Physical Review B}, author={Sanna, S. and Schmidt, Wolf Gero and Rode, S. and Klassen, S. and Kühnle, A.}, year={2014} }' chicago: Sanna, S., Wolf Gero Schmidt, S. Rode, S. Klassen, and A. Kühnle. “Unraveling TheLiNbO3X-Cut Surface by Atomic Force Microscopy and Density Functional Theory.” Physical Review B 89, no. 7 (2014). https://doi.org/10.1103/physrevb.89.075403. ieee: 'S. Sanna, W. G. Schmidt, S. Rode, S. Klassen, and A. Kühnle, “Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory,” Physical Review B, vol. 89, no. 7, 2014, doi: 10.1103/physrevb.89.075403.' mla: Sanna, S., et al. “Unraveling TheLiNbO3X-Cut Surface by Atomic Force Microscopy and Density Functional Theory.” Physical Review B, vol. 89, no. 7, 2014, doi:10.1103/physrevb.89.075403. short: S. Sanna, W.G. Schmidt, S. Rode, S. Klassen, A. Kühnle, Physical Review B 89 (2014). date_created: 2019-09-30T13:42:07Z date_updated: 2025-12-05T10:31:19Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1103/physrevb.89.075403 intvolume: ' 89' issue: '7' 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: Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory type: journal_article user_id: '16199' volume: 89 year: '2014' ... --- _id: '13514' author: - first_name: Yanlu full_name: Li, Yanlu last_name: Li - 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: Li Y, Schmidt WG, Sanna S. IntrinsicLiNbO3point defects from hybrid density functional calculations. Physical Review B. 2014;89(9). doi:10.1103/physrevb.89.094111 apa: Li, Y., Schmidt, W. G., & Sanna, S. (2014). IntrinsicLiNbO3point defects from hybrid density functional calculations. Physical Review B, 89(9). https://doi.org/10.1103/physrevb.89.094111 bibtex: '@article{Li_Schmidt_Sanna_2014, title={IntrinsicLiNbO3point defects from hybrid density functional calculations}, volume={89}, DOI={10.1103/physrevb.89.094111}, number={9}, journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero and Sanna, S.}, year={2014} }' chicago: Li, Yanlu, Wolf Gero Schmidt, and S. Sanna. “IntrinsicLiNbO3point Defects from Hybrid Density Functional Calculations.” Physical Review B 89, no. 9 (2014). https://doi.org/10.1103/physrevb.89.094111. ieee: 'Y. Li, W. G. Schmidt, and S. Sanna, “IntrinsicLiNbO3point defects from hybrid density functional calculations,” Physical Review B, vol. 89, no. 9, 2014, doi: 10.1103/physrevb.89.094111.' mla: Li, Yanlu, et al. “IntrinsicLiNbO3point Defects from Hybrid Density Functional Calculations.” Physical Review B, vol. 89, no. 9, 2014, doi:10.1103/physrevb.89.094111. short: Y. Li, W.G. Schmidt, S. Sanna, Physical Review B 89 (2014). date_created: 2019-09-30T13:38:01Z date_updated: 2025-12-05T10:32:36Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '429' doi: 10.1103/physrevb.89.094111 intvolume: ' 89' issue: '9' language: - iso: eng project: - _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 - _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: IntrinsicLiNbO3point defects from hybrid density functional calculations type: journal_article user_id: '16199' volume: 89 year: '2014' ... --- _id: '13512' author: - 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: Peter full_name: Thissen, Peter last_name: Thissen citation: ama: 'Sanna S, Schmidt WG, Thissen P. Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001). The Journal of Physical Chemistry C. 2014;118:8007-8013. doi:10.1021/jp500170t' apa: 'Sanna, S., Schmidt, W. G., & Thissen, P. (2014). Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001). The Journal of Physical Chemistry C, 118, 8007–8013. https://doi.org/10.1021/jp500170t' bibtex: '@article{Sanna_Schmidt_Thissen_2014, title={Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)}, volume={118}, DOI={10.1021/jp500170t}, journal={The Journal of Physical Chemistry C}, author={Sanna, Simone and Schmidt, Wolf Gero and Thissen, Peter}, year={2014}, pages={8007–8013} }' chicago: 'Sanna, Simone, Wolf Gero Schmidt, and Peter Thissen. “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001).” The Journal of Physical Chemistry C 118 (2014): 8007–13. https://doi.org/10.1021/jp500170t.' ieee: 'S. Sanna, W. G. Schmidt, and P. Thissen, “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001),” The Journal of Physical Chemistry C, vol. 118, pp. 8007–8013, 2014, doi: 10.1021/jp500170t.' mla: 'Sanna, Simone, et al. “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001).” The Journal of Physical Chemistry C, vol. 118, 2014, pp. 8007–13, doi:10.1021/jp500170t.' short: S. Sanna, W.G. Schmidt, P. Thissen, The Journal of Physical Chemistry C 118 (2014) 8007–8013. date_created: 2019-09-30T13:35:25Z date_updated: 2025-12-05T10:33:35Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '2' - _id: '35' - _id: '230' doi: 10.1021/jp500170t intvolume: ' 118' language: - iso: eng page: 8007-8013 publication: The Journal of Physical Chemistry C publication_identifier: issn: - 1932-7447 - 1932-7455 publication_status: published status: public title: 'Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)' type: journal_article user_id: '16199' volume: 118 year: '2014' ... --- _id: '13515' author: - first_name: S. full_name: Sanna, S. last_name: Sanna - first_name: R. full_name: Hölscher, R. last_name: Hölscher - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 citation: ama: 'Sanna S, Hölscher R, Schmidt WG. Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge. Applied Surface Science. Published online 2014:70-78. doi:10.1016/j.apsusc.2014.01.104' apa: 'Sanna, S., Hölscher, R., & Schmidt, W. G. (2014). Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge. Applied Surface Science, 70–78. https://doi.org/10.1016/j.apsusc.2014.01.104' bibtex: '@article{Sanna_Hölscher_Schmidt_2014, title={Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge}, DOI={10.1016/j.apsusc.2014.01.104}, journal={Applied Surface Science}, author={Sanna, S. and Hölscher, R. and Schmidt, Wolf Gero}, year={2014}, pages={70–78} }' chicago: 'Sanna, S., R. Hölscher, and Wolf Gero Schmidt. “Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge.” Applied Surface Science, 2014, 70–78. https://doi.org/10.1016/j.apsusc.2014.01.104.' ieee: 'S. Sanna, R. Hölscher, and W. G. Schmidt, “Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge,” Applied Surface Science, pp. 70–78, 2014, doi: 10.1016/j.apsusc.2014.01.104.' mla: 'Sanna, S., et al. “Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge.” Applied Surface Science, 2014, pp. 70–78, doi:10.1016/j.apsusc.2014.01.104.' short: S. Sanna, R. Hölscher, W.G. Schmidt, Applied Surface Science (2014) 70–78. date_created: 2019-09-30T13:40:10Z date_updated: 2025-12-05T10:31:53Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '429' - _id: '27' doi: 10.1016/j.apsusc.2014.01.104 language: - iso: eng page: 70-78 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 publication: Applied Surface Science publication_identifier: issn: - 0169-4332 publication_status: published status: public title: 'Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge' type: journal_article user_id: '16199' year: '2014' ... --- _id: '13508' author: - first_name: Q. full_name: Guo, Q. last_name: Guo - first_name: A. full_name: Paulheim, A. last_name: Paulheim - first_name: M. full_name: Sokolowski, M. last_name: Sokolowski - first_name: Hazem full_name: Aldahhak, Hazem 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: Guo Q, Paulheim A, Sokolowski M, Aldahhak H, Rauls E, Schmidt WG. Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface. The Journal of Physical Chemistry C. 2014;118:29911-29918. doi:10.1021/jp509663s apa: Guo, Q., Paulheim, A., Sokolowski, M., Aldahhak, H., Rauls, E., & Schmidt, W. G. (2014). Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface. The Journal of Physical Chemistry C, 118, 29911–29918. https://doi.org/10.1021/jp509663s bibtex: '@article{Guo_Paulheim_Sokolowski_Aldahhak_Rauls_Schmidt_2014, title={Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface}, volume={118}, DOI={10.1021/jp509663s}, journal={The Journal of Physical Chemistry C}, author={Guo, Q. and Paulheim, A. and Sokolowski, M. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2014}, pages={29911–29918} }' chicago: 'Guo, Q., A. Paulheim, M. Sokolowski, Hazem Aldahhak, E. Rauls, and Wolf Gero Schmidt. “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface.” The Journal of Physical Chemistry C 118 (2014): 29911–18. https://doi.org/10.1021/jp509663s.' ieee: 'Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, and W. G. Schmidt, “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface,” The Journal of Physical Chemistry C, vol. 118, pp. 29911–29918, 2014, doi: 10.1021/jp509663s.' mla: Guo, Q., et al. “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface.” The Journal of Physical Chemistry C, vol. 118, 2014, pp. 29911–18, doi:10.1021/jp509663s. short: Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry C 118 (2014) 29911–29918. date_created: 2019-09-30T13:26:17Z date_updated: 2025-12-05T10:35:20Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '35' - _id: '230' - _id: '27' doi: 10.1021/jp509663s intvolume: ' 118' language: - iso: eng page: 29911-29918 project: - _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 status: public title: Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface type: journal_article user_id: '16199' volume: 118 year: '2014' ...