--- _id: '10016' author: - first_name: Mateusz full_name: Paszkiewicz, Mateusz last_name: Paszkiewicz - first_name: Timur full_name: Biktagirov, Timur last_name: Biktagirov - first_name: Hazem full_name: Aldahhak, Hazem id: '26687' last_name: Aldahhak - first_name: Francesco full_name: Allegretti, Francesco last_name: Allegretti - first_name: Eva full_name: Rauls, Eva last_name: Rauls - first_name: Wolfgang full_name: Schöfberger, Wolfgang last_name: Schöfberger - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: Johannes V. full_name: Barth, Johannes V. last_name: Barth - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann - first_name: Florian full_name: Klappenberger, Florian last_name: Klappenberger citation: ama: Paszkiewicz M, Biktagirov T, Aldahhak H, et al. Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis. The Journal of Physical Chemistry Letters. 2018:6412-6420. doi:10.1021/acs.jpclett.8b02525 apa: Paszkiewicz, M., Biktagirov, T., Aldahhak, H., Allegretti, F., Rauls, E., Schöfberger, W., … Klappenberger, F. (2018). Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis. The Journal of Physical Chemistry Letters, 6412–6420. https://doi.org/10.1021/acs.jpclett.8b02525 bibtex: '@article{Paszkiewicz_Biktagirov_Aldahhak_Allegretti_Rauls_Schöfberger_Schmidt_Barth_Gerstmann_Klappenberger_2018, title={Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis}, DOI={10.1021/acs.jpclett.8b02525}, journal={The Journal of Physical Chemistry Letters}, author={Paszkiewicz, Mateusz and Biktagirov, Timur and Aldahhak, Hazem and Allegretti, Francesco and Rauls, Eva and Schöfberger, Wolfgang and Schmidt, Wolf Gero and Barth, Johannes V. and Gerstmann, Uwe and Klappenberger, Florian}, year={2018}, pages={6412–6420} }' chicago: Paszkiewicz, Mateusz, Timur Biktagirov, Hazem Aldahhak, Francesco Allegretti, Eva Rauls, Wolfgang Schöfberger, Wolf Gero Schmidt, Johannes V. Barth, Uwe Gerstmann, and Florian Klappenberger. “Unraveling the Oxidation and Spin State of Mn–Corrole through X-Ray Spectroscopy and Quantum Chemical Analysis.” The Journal of Physical Chemistry Letters, 2018, 6412–20. https://doi.org/10.1021/acs.jpclett.8b02525. ieee: M. Paszkiewicz et al., “Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis,” The Journal of Physical Chemistry Letters, pp. 6412–6420, 2018. mla: Paszkiewicz, Mateusz, et al. “Unraveling the Oxidation and Spin State of Mn–Corrole through X-Ray Spectroscopy and Quantum Chemical Analysis.” The Journal of Physical Chemistry Letters, 2018, pp. 6412–20, doi:10.1021/acs.jpclett.8b02525. short: M. Paszkiewicz, T. Biktagirov, H. Aldahhak, F. Allegretti, E. Rauls, W. Schöfberger, W.G. Schmidt, J.V. Barth, U. Gerstmann, F. Klappenberger, The Journal of Physical Chemistry Letters (2018) 6412–6420. date_created: 2019-05-29T07:20:57Z date_updated: 2022-01-06T06:50:24Z department: - _id: '15' doi: 10.1021/acs.jpclett.8b02525 language: - iso: eng page: 6412-6420 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 Physical Chemistry Letters publication_identifier: issn: - 1948-7185 publication_status: published status: public title: Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis type: journal_article user_id: '16199' year: '2018' ... --- _id: '10019' author: - first_name: Hazem full_name: Aldahhak, Hazem id: '26687' last_name: Aldahhak - first_name: M. full_name: Paszkiewicz, M. last_name: Paszkiewicz - first_name: E. full_name: Rauls, E. last_name: Rauls - first_name: F. full_name: Allegretti, F. last_name: Allegretti - first_name: S. full_name: Tebi, S. last_name: Tebi - first_name: A. C. full_name: Papageorgiou, A. C. last_name: Papageorgiou - first_name: Y.-Q. full_name: Zhang, Y.-Q. last_name: Zhang - first_name: L. full_name: Zhang, L. last_name: Zhang - first_name: T. full_name: Lin, T. last_name: Lin - first_name: T. full_name: Paintner, T. last_name: Paintner - first_name: R. full_name: Koch, R. last_name: Koch - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: J. V. full_name: Barth, J. V. last_name: Barth - first_name: W. full_name: Schöfberger, W. last_name: Schöfberger - first_name: S. full_name: Müllegger, S. last_name: Müllegger - first_name: F. full_name: Klappenberger, F. last_name: Klappenberger - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann citation: ama: 'Aldahhak H, Paszkiewicz M, Rauls E, et al. Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111). Chemistry - A European Journal. 2018:6787-6797. doi:10.1002/chem.201705921' apa: 'Aldahhak, H., Paszkiewicz, M., Rauls, E., Allegretti, F., Tebi, S., Papageorgiou, A. C., … Gerstmann, U. (2018). Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111). Chemistry - A European Journal, 6787–6797. https://doi.org/10.1002/chem.201705921' bibtex: '@article{Aldahhak_Paszkiewicz_Rauls_Allegretti_Tebi_Papageorgiou_Zhang_Zhang_Lin_Paintner_et al._2018, title={Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)}, DOI={10.1002/chem.201705921}, journal={Chemistry - A European Journal}, author={Aldahhak, Hazem and Paszkiewicz, M. and Rauls, E. and Allegretti, F. and Tebi, S. and Papageorgiou, A. C. and Zhang, Y.-Q. and Zhang, L. and Lin, T. and Paintner, T. and et al.}, year={2018}, pages={6787–6797} }' chicago: 'Aldahhak, Hazem, M. Paszkiewicz, E. Rauls, F. Allegretti, S. Tebi, A. C. Papageorgiou, Y.-Q. Zhang, et al. “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111).” Chemistry - A European Journal, 2018, 6787–97. https://doi.org/10.1002/chem.201705921.' ieee: 'H. Aldahhak et al., “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111),” Chemistry - A European Journal, pp. 6787–6797, 2018.' mla: 'Aldahhak, Hazem, et al. “Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111).” Chemistry - A European Journal, 2018, pp. 6787–97, doi:10.1002/chem.201705921.' short: H. Aldahhak, M. Paszkiewicz, E. Rauls, F. Allegretti, S. Tebi, A.C. Papageorgiou, Y.-Q. Zhang, L. Zhang, T. Lin, T. Paintner, R. Koch, W.G. Schmidt, J.V. Barth, W. Schöfberger, S. Müllegger, F. Klappenberger, U. Gerstmann, Chemistry - A European Journal (2018) 6787–6797. date_created: 2019-05-29T07:37:30Z date_updated: 2022-01-06T06:50:24Z department: - _id: '15' doi: 10.1002/chem.201705921 language: - iso: eng page: 6787-6797 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: Chemistry - A European Journal publication_identifier: issn: - 0947-6539 publication_status: published status: public title: 'Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)' type: journal_article user_id: '16199' year: '2018' ... --- _id: '13424' author: - first_name: Hazem full_name: Aldahhak, Hazem id: '26687' last_name: Aldahhak - first_name: M. full_name: Paszkiewicz, M. last_name: Paszkiewicz - first_name: F. full_name: Allegretti, F. last_name: Allegretti - first_name: D. A. full_name: Duncan, D. A. last_name: Duncan - first_name: S. full_name: Tebi, S. last_name: Tebi - first_name: P. S. full_name: Deimel, P. S. last_name: Deimel - first_name: P. full_name: Casado Aguilar, P. last_name: Casado Aguilar - first_name: Y.-Q. full_name: Zhang, Y.-Q. last_name: Zhang - first_name: A. C. full_name: Papageorgiou, A. C. last_name: Papageorgiou - first_name: R. full_name: Koch, R. last_name: Koch - first_name: J. V. full_name: Barth, J. V. last_name: Barth - first_name: Wolf Gero full_name: Schmidt, Wolf Gero id: '468' last_name: Schmidt orcid: 0000-0002-2717-5076 - first_name: S. full_name: Müllegger, S. last_name: Müllegger - first_name: W. full_name: Schöfberger, W. last_name: Schöfberger - first_name: F. full_name: Klappenberger, F. last_name: Klappenberger - first_name: E. full_name: Rauls, E. last_name: Rauls - first_name: Uwe full_name: Gerstmann, Uwe id: '171' last_name: Gerstmann orcid: 0000-0002-4476-223X citation: ama: 'Aldahhak H, Paszkiewicz M, Allegretti F, et al. X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization. The Journal of Physical Chemistry C. 2017;121:2192-2200. doi:10.1021/acs.jpcc.6b09935' apa: 'Aldahhak, H., Paszkiewicz, M., Allegretti, F., Duncan, D. A., Tebi, S., Deimel, P. S., Casado Aguilar, P., Zhang, Y.-Q., Papageorgiou, A. C., Koch, R., Barth, J. V., Schmidt, W. G., Müllegger, S., Schöfberger, W., Klappenberger, F., Rauls, E., & Gerstmann, U. (2017). X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization. The Journal of Physical Chemistry C, 121, 2192–2200. https://doi.org/10.1021/acs.jpcc.6b09935' bibtex: '@article{Aldahhak_Paszkiewicz_Allegretti_Duncan_Tebi_Deimel_Casado Aguilar_Zhang_Papageorgiou_Koch_et al._2017, title={X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization}, volume={121}, DOI={10.1021/acs.jpcc.6b09935}, journal={The Journal of Physical Chemistry C}, author={Aldahhak, Hazem and Paszkiewicz, M. and Allegretti, F. and Duncan, D. A. and Tebi, S. and Deimel, P. S. and Casado Aguilar, P. and Zhang, Y.-Q. and Papageorgiou, A. C. and Koch, R. and et al.}, year={2017}, pages={2192–2200} }' chicago: 'Aldahhak, Hazem, M. Paszkiewicz, F. Allegretti, D. A. Duncan, S. Tebi, P. S. Deimel, P. Casado Aguilar, et al. “X-Ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization.” The Journal of Physical Chemistry C 121 (2017): 2192–2200. https://doi.org/10.1021/acs.jpcc.6b09935.' ieee: 'H. Aldahhak et al., “X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization,” The Journal of Physical Chemistry C, vol. 121, pp. 2192–2200, 2017, doi: 10.1021/acs.jpcc.6b09935.' mla: 'Aldahhak, Hazem, et al. “X-Ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization.” The Journal of Physical Chemistry C, vol. 121, 2017, pp. 2192–200, doi:10.1021/acs.jpcc.6b09935.' short: H. Aldahhak, M. Paszkiewicz, F. Allegretti, D.A. Duncan, S. Tebi, P.S. Deimel, P. Casado Aguilar, Y.-Q. Zhang, A.C. Papageorgiou, R. Koch, J.V. Barth, W.G. Schmidt, S. Müllegger, W. Schöfberger, F. Klappenberger, E. Rauls, U. Gerstmann, The Journal of Physical Chemistry C 121 (2017) 2192–2200. date_created: 2019-09-20T12:14:02Z date_updated: 2025-12-05T10:09:30Z department: - _id: '15' - _id: '170' - _id: '295' - _id: '790' - _id: '35' - _id: '230' - _id: '27' doi: 10.1021/acs.jpcc.6b09935 funded_apc: '1' intvolume: ' 121' language: - iso: eng page: 2192-2200 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: 'X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization' type: journal_article user_id: '16199' volume: 121 year: '2017' ... --- _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: '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' ...