Expertises
Engineering & Materials Science
# Density Functional Theory
# Electronic Structure
# Energy Gap
# Perovskite
Chemistry
# Band Gap
# Density Functional Theory
# Halide
Physics & Astronomy
# Halides
Verbonden aan
Publicaties
Recent
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 Collegejaar 2022/2023
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Vakken Collegejaar 2021/2022
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Universiteit Twente
Faculty of Science and Technology
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Hallenweg 23
7522NH Enschede
Postadres
Universiteit Twente
Faculty of Science and Technology
Carré
Postbus 217
7500 AE Enschede