dr. L. Leppert (Linn)

Engineering & Materials Science

# Density Functional Theory
# Electronic Structure
# Energy Gap
# Perovskite

Chemistry

# Band Gap
# Density Functional Theory
# Halide

Physics & Astronomy

# Halides

Faculty of Science and Technology (TNW), Computational Chemical Physics (CCP)

Volpert, S., Hashemi, Z., Foerster, J. M., Marques, M. R. G., Schelter, I., Kümmel, S. , & Leppert, L. (2023). Delocalized electronic excitations and their role in directional charge transfer in the reaction center of Rhodobacter sphaeroides. The Journal of chemical physics, 158(19). https://doi.org/10.1063/5.0139691, https://doi.org/10.1063/5.0139691

Hashemi, Z., Knodt, M., Marques, M. R. G. , & Leppert, L. (2023). Mapping charge-transfer excitations in Bacteriochlorophyll dimers from first principles. Electronic Structure, 5(2), [024006]. https://doi.org/10.1088/2516-1075/acd28e

Biega, R-I. , Bokdam, M., Herrmann, K., Mohanraj, J., Skrybeck, D., Thelakkat, M., Retsch, M. , & Leppert, L. (2023). Dynamic Distortions of Quasi-2D Ruddlesden-Popper Perovskites at Elevated Temperatures: Influence on Thermal and Electronic Properties. The Journal of physical chemistry part C, 127(19), 9183–9195. https://doi.org/10.1021/acs.jpcc.3c01634

Biega, R-I. , Bokdam, M., Herrmann, K., Mohanraj, J., Skyrbeck, D., Thelakkat, M., Retsch, M. , & Leppert, L. (2023). Dynamic Distortions of Quasi-2D Ruddlesden-Popper Perovskites at Elevated Temperatures: Influence on Thermal and Electronic Properties. ArXiv.org. https://doi.org/10.48550/arXiv.2303.05852

Hashemi, Z., Knodt, M., Marques, M. R. G. , & Leppert, L. (2023). Mapping Charge-Transfer Excitations in Bacteriochlorophyll Dimers from First Principles. ArXiv.org. https://doi.org/10.48550/arXiv.2301.03309

Krach, S., Forero-Correa, N., Biega, R-I., Reyes-Lillo, S. E. , & Leppert, L. (2023). Emergence of Rashba-/Dresselhaus effects in Ruddlesden–Popper halide perovskites with octahedral rotations. Journal of physics: Condensed matter, 35(17), 174001. [174001]. https://doi.org/10.1088/1361-648X/acbd0c

Volpert, S., Hashemi, Z., Foerster, J. M., Marques, M. R. G., Schelter, I., Kümmel, S. , & Leppert, L. (2022). Delocalized Electronic Excitations and their Role in Directional Charge Transfer in the Reaction Center of Rhodobacter Sphaeroides. ArXiv.org. https://doi.org/10.48550/arXiv.2212.12201

Dvorak, M., Baumeier, B., Golze, D. , Leppert, L., & Rinke, P. (2022). Editorial: Many-Body Green’s Functions and the Bethe-Salpeter Equation in Chemistry: From Single Molecules to Complex Systems. Frontiers in Chemistry, 10, [866492]. https://doi.org/10.3389/fchem.2022.866492

Matheu, R., Ke, F., Breidenbach, A., Wolf, N. R., Lee, Y., Liu, Z. , Leppert, L., Lin, Y., & Karunadasa, H. I. (2022). Charge Reservoirs in an Expanded Halide Perovskite Analog: Enhancing High-Pressure Conductivity through Redox-Active Molecules. Angewandte Chemie - International Edition, 61(25), [e202202911]. https://doi.org/10.1002/anie.202202911

Wolf, N. R., Jaffe, A., Slavney, A. H., Mao, W. L. , Leppert, L., & Karunadasa, H. I. (2022). Tuning Defects in a Halide Double Perovskite with Pressure. Journal of the American Chemical Society, 144(45), 20763-20772. https://doi.org/10.1021/jacs.2c08607

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Vakken in het huidig collegejaar worden toegevoegd op het moment dat zij definitief zijn in het Osiris systeem. Daarom kan het zijn dat de lijst nog niet compleet is voor het gehele collegejaar.