Prof. Dr. Bernd Meyer



Organisation


Professur für Computational Chemistry



Project lead


(Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik (FRASCAL)):
GRK2423 - P1: Teilprojekt P1 – Chemistry at the Crack Tip
Prof. Dr.-Ing. Erik Bitzek; Prof. Dr. Bernd Meyer
(02/01/2019 - 30/06/2023)

(Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL)):
GRK2423 - P7: Teilprojekt P7 - Collective Phenomena in Failure at Complex Interfaces
Prof. Dr. Bernd Meyer; Dr. Paolo Moretti
(02/01/2019 - 30/06/2023)

SPP 2074 Grundlagen für die verbesserte Gebrauchsdauerberechnung feststoffgeschmierter Wälzlager durch Multiskalen-Untersuchungen
Prof. Dr. Bernd Meyer; Dr.-Ing. Benoit Merle; Dr.-Ing. Stephan Tremmel
(01/10/2018 - 30/09/2021)

(SFB 953: Synthetic Carbon Allotropes):
SFB 953: Large Scale Simulations on Carbon Allotropes (C01)
apl. Prof. Dr. Timothy Clark; Prof. Dr. Bernd Meyer
(01/01/2012)


Project member


(Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik (FRASCAL)):
GRK2423 - P1: Teilprojekt P1 – Chemistry at the Crack Tip
Prof. Dr.-Ing. Erik Bitzek; Prof. Dr. Bernd Meyer
(02/01/2019 - 30/06/2023)

GRK 2423 FRASCAL: Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL)
Prof. Dr.-Ing. Paul Steinmann
(01/01/2019 - 30/06/2023)


Publications (Download BibTeX)

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Maier, S., Ammon, M., Meyer, B., Kivala, M., Steiner, C., Yang, Z.,... Ammon, M. (2018). Binary supramolecular networks of bridged triphenylamines with different substituents and identical scaffolds. Chemical Communications, 54(82), 11554-11557. https://dx.doi.org/10.1039/c8cc04410d
Lepper, M., Köbl, J., Zhang, L., Meusel, M., Hölzel, H., Lungerich, D.,... Marbach, H. (2018). Controlling the Self-Metalation Rate of Tetraphenylporphyrins on Cu(111) via Cyano Functionalization. Angewandte Chemie-International Edition, 57(32), 10074-10079. https://dx.doi.org/10.1002/anie.201803601
Lepper, M., Schmitt, T., Gurrath, M., Raschmann, M., Zhang, L., Stark, M.,... Marbach, H. (2017). Adsorption Behavior of a Cyano-Functionalized Porphyrin on Cu(111) and Ag(111): From Molecular Wires to Ordered Supramolecular Two-Dimensional Aggregates. Journal of Physical Chemistry C, 121(47), 26361-26371. https://dx.doi.org/10.1021/acs.jpcc.7b08382
Frenzel, J., Meyer, B., & Marx, D. (2017). Bicanonical ab Initio Molecular Dynamics for Open Systems. Journal of Chemical Theory and Computation, 13(8), 3455-3469. https://dx.doi.org/10.1021/acs.jctc.7b00263
Ledendecker, M., Schlott, H., Antonietti, M., Meyer, B., & Shalom, M. (2017). Experimental and Theoretical Assessment of Ni-Based Binary Compounds for the Hydrogen Evolution Reaction. Advanced Energy Materials, 7(5). https://dx.doi.org/10.1002/aenm.201601735
Segets, D., Lin, W., Schmidt, J., Peukert, W., Mahler, M., Schindler, T.,... Meyer, B. (2017). Influence of Tail Groups during Functionalization of ZnO Nanoparticles on Binding Enthalpies and Photoluminescence. Langmuir, 33(47), 13581-13589. https://dx.doi.org/10.1021/acs.langmuir.7b03079
Lepper, M., Köbl, J., Schmitt, T., Gurrath, M., De Siervo, A., Schneider, M.A.,... Hieringer, W. (2017). "Inverted'' porphyrins: a distorted adsorption geometry of free-base porphyrins on Cu(111). Chemical Communications, 53(58), 8207-8210. https://dx.doi.org/10.1039/c7cc04182a
Kulmas, M., Paerson, L., Höflich, K., Bashouti, M.Y., Wu, Y., Göbelt, M.,... Christiansen, S. (2016). Composite Nanostructures of TiO2 and ZnO for Water Splitting Application: Atomic Layer Deposition Growth and Density Functional Theory Investigation. Advanced Functional Materials, 26(27), 4882-4889. https://dx.doi.org/10.1002/adfm.201505524
Ostapenko, A., Klöffel, T., Eussner, J., Harms, K., Dehnen, S., Meyer, B., & Witte, G. (2016). Etching of Crystalline ZnO Surfaces upon Phosphonic Acid Adsorption: Guidelines for the Realization of Well-Engineered Functional Self-Assembled Monolayers. ACS Applied Materials and Interfaces, 8(21), 13472-13483. https://dx.doi.org/10.1021/acsami.6b02190
Ostapenko, A., Klöffel, T., Meyer, B., & Witte, G. (2016). Formation and Stability of Phenylphosphonic Acid Monolayers on ZnO: Comparison of In Situ and Ex Situ SAM Preparation. Langmuir, 32(20), 5029-5037. https://dx.doi.org/10.1021/acs.langmuir.6b00487

Last updated on 2016-05-05 at 05:05