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
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
Hammon, S.
, Leppert, L., & Kümmel, S. (2021).
Magnetic moment quenching in small Pd clusters in solution.
European Physical Journal D. Atomic, Molecular, Optical and Plasma Physics,
75, [309].
https://doi.org/10.1140/epjd/s10053-021-00322-1
Biega, R. I.
, & Leppert, L. (2021).
Halogen vacancy migration at surfaces of CsPbBr3perovskites: Insights from density functional theory.
Journal of Physics: Energy,
3(3), [034017].
https://doi.org/10.1088/2515-7655/ac10fe
Girdzis, S. P., Lin, Y.
, Leppert, L., Slavney, A. H., Park, S., Chapman, K. W., Karunadasa, H. I., & Mao, W. L. (2021).
Revealing Local Disorder in a Silver-Bismuth Halide Perovskite upon Compression.
Journal of physical chemistry letters,
12(1), 532-536.
https://doi.org/10.1021/acs.jpclett.0c03412
De Queiroz, T. B., De Figueroa, E. R., Coutinho-Neto, M. D., Maciel, C. D., Tapavicza, E., Hashemi, Z.
, & Leppert, L. (2021).
First principles theoretical spectroscopy of methylene blue: Between limitations of time-dependent density functional theory approximations and its realistic description in the solvent.
Journal of chemical physics,
154(4), [044106].
https://doi.org/10.1063/5.0029727
Biega, R. I., Filip, M. R.
, Leppert, L., & Neaton, J. B. (2021).
Chemically Localized Resonant Excitons in Silver-Pnictogen Halide Double Perovskites.
Journal of physical chemistry letters,
12(8), 2057-2063.
https://doi.org/10.1021/acs.jpclett.0c03579
Hashemi, Z.
, & Leppert, L. (2021).
Assessment of the ab initio Bethe−Salpeter equation approach for the low-lying excitation energies of bacteriochlorophylls and chlorophylls.
Journal of physical chemistry A,
125(10), 2163-2172.
https://doi.org/10.1021/acs.jpca.1c01240
Connor, B. A., Biega, R. I.
, Leppert, L., & Karunadasa, H. I. (2020).
Dimensional reduction of the small-bandgap double perovskite Cs2AgTlBr6.
Chemical science,
11(29), 7708-7715.
https://doi.org/10.1039/d0sc01580f
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Vakken Collegejaar 2022/2023
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.
Vakken Collegejaar 2021/2022
Contactgegevens
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Universiteit Twente
Faculty of Science and Technology
Carré
(gebouwnr. 15)
Hallenweg 23
7522NH Enschede
Postadres
Universiteit Twente
Faculty of Science and Technology
Carré
Postbus 217
7500 AE Enschede