Expertises

  • Chemistry

    • Perovskites
    • First Principle
    • Band Gap
    • Electronic State
    • Density Functional Theory
    • Structure
  • Material Science

    • Halide
    • Density

Organisaties

Publicaties

2024
2023
First principles atomistic theory of halide perovskitesIn Halide Perovskite Semiconductors: Structures, Characterization, Properties, and Phenomena (pp. 215-250). Wiley-Blackwell. Leppert, L.https://doi.org/10.1002/9783527829026.ch8Understanding the evolution of double perovskite band structure upon dimensional reductionChemical science, 14(42), 11858-11871. Connor, B. A., Su, A. C., Slavney, A. H., Leppert, L. & Karunadasa, H. I.https://doi.org/10.1039/D3SC03105ERight band gaps for the right reason at low computational cost with a meta-GGAPhysical Review Materials , 7(9), Article 093803. Lebeda, T., Aschebrock, T., Sun, J., Leppert, L. & Kümmel, S.https://doi.org/10.1103/PhysRevMaterials.7.093803Chemical Mapping of Excitons in Halide Double PerovskitesNano letters, 23(17), 8155–8161. Biega, R. I., Chen, Y., Filip, M. R. & Leppert, L.https://doi.org/10.1021/acs.nanolett.3c02285Conduction Band Tuning by Controlled Alloying of Fe into Cs2AgBiBr6 Double Perovskite PowdersAdvanced functional materials, Article 2306106 (E-pub ahead of print/First online). Jöbsis, H. J., Fykouras, K., Reinders, J. W. C., van Katwijk, J., Dorresteijn, J. M., Arens, T., Vollmer, I., Muscarella, L. A., Leppert, L. & Hutter, E. M.https://doi.org/10.1002/adfm.202306106Towards an Inclusive and Representative Academic LandscapeEuropean review, 31(4), 382-390. Leppert, L., Solymosi, K. & Galligan, Y.https://doi.org/10.1017/S1062798723000108Conduction band tuning by controlled alloying of Fe into Cs2AgBiBr6 double perovskite powders. Jobsis, H. J., Fykouras, K., Reinders, J. W. C., Katwijk, J. v., Dorresteijn, J. M., Arens, T., Vollmer, I., Muscarella, L. A., Leppert, L. & Hutter, E. M.Chemical Mapping of Excitons in Halide Double Perovskites. ArXiv.org. Biega, R.-I., Chen, Y., Filip, M. R. & Leppert, L.https://arxiv.org/abs/2306.11352Mapping charge-transfer excitations in Bacteriochlorophyll dimers from first principlesElectronic Structure, 5(2), Article 024006. Hashemi, Z., Knodt, M., Marques, M. R. G. & Leppert, L.https://doi.org/10.1088/2516-1075/acd28e

Onderzoeksprofielen

Adres

Universiteit Twente

Carré (gebouwnr. 15)
Hallenweg 23
7522 NH Enschede

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