Recent publications
Article
Fykouras, K & Leppert, L 2025, 'Controlling Excitons in Quasi-1D Perovskites by Dielectric Screening and Connectivity', PRX Energy, vol. 4, no. 4, 043004. https://doi.org/10.1103/5332-z74l
Lang, M, Fykouras, K, Döblinger, M, Henrotte, O, Müller-Buschbaum, P, Cortés, E, Stolarczyk, JK, Leppert, L & Akkerman, QA 2025, 'Emergence of Intrinsic One-Dimensional Excitons in Colloidal Bi13S18I2 Nanocrystals', Journal of Physical Chemistry Letters, vol. 16, no. 39, pp. 10265-10272. https://doi.org/10.1021/acs.jpclett.5c02579
Boeije, Y, Lie, F, Dubajić, M, Garip, E, Maufort, A, Biega, RI, Lenaers, S, Sauty, M, Ghosh, P, Radić, A, Loher, A, La Magna, P, Salway, H, Ashoka, A, Chua, XW, Gu, Q, Van Hecke, K, Lutsen, L, Vanderzande, D, Rao, A, Van Gompel, WTM, Leppert, L & Stranks, SD 2025, 'Molecular Engineering of Interlayer Exciton Delocalization in 2D Perovskites', Journal of the American Chemical Society, vol. 147, no. 35, pp. 31541-31557. https://doi.org/10.1021/jacs.5c05621
Solomon, JS, Soto-Montero, T, Birkhölzer, YA, Cunha, DM, Soltanpoor, W, Ledinský, M, Orlov, N, Garnett, EC, Forero-Correa, N, Reyes-Lillo, SE, Haward, TB, Lilly, JRS, Herz, LM, Koster, G, Rijnders, G, Leppert, L & Morales-Masis, M 2025, 'Room-temperature epitaxy of α-CH3NH3PbI3 halide perovskite by pulsed laser deposition', Nature Synthesis, vol. 4, no. 4, pp. 432-443. https://doi.org/10.1038/s44160-024-00717-z
Jöbsis, HJ, Fykouras, K, Reinders, JWC, van Katwijk, J, Dorresteijn, JM, Arens, T, Vollmer, I, Muscarella, LA, Leppert, L & Hutter, EM 2024, 'Conduction Band Tuning by Controlled Alloying of Fe into Cs2AgBiBr6 Double Perovskite Powders', Advanced Functional Materials, vol. 34, no. 50, 2306106. https://doi.org/10.1002/adfm.202306106
Biega, R-I, Jöbsis, HJ, Gijsberg, Z, Huskens, M, Hutter, EM & Leppert, L 2024, 'Halide Mixing in Cs2AgBi(IxBr1-x)6 Double Perovskites: A Pathway to Tunable Excitonic Properties', Journal of Physical Chemistry C, vol. 128, no. 35, pp. 14767-14775. https://doi.org/10.1021/acs.jpcc.4c04453
Volpert, S, Hashemi, Z, Foerster, JM, Marques, MRG, Schelter, I, Kümmel, S & Leppert, L 2023, 'Delocalized electronic excitations and their role in directional charge transfer in the reaction center of Rhodobacter sphaeroides', Journal of Chemical Physics, vol. 158, no. 19, 195102. https://doi.org/10.1063/5.0139691
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', Journal of Physical Chemistry C, vol. 127, no. 19, pp. 9183-9195. https://doi.org/10.1021/acs.jpcc.3c01634
Chapter
Leppert, L 2024, First Principles Atomistic Theory of Halide Perovskites. in Y Zhou & I Mora-Seró (eds), Halide Perovskite Semiconductors: Structures, Characterization, Properties, and Phenomena. Wiley-Blackwell, pp. 215-250. https://doi.org/10.1002/9783527829026.ch8
Comment/debate
Kerner, RA, White, KP, Balasubramaniam, N, Ye, JY, Addison, B, Bramante, R, Fykouras, K, Leppert, L, Toney, MF, Larson, BW, Wheeler, LM, Rand, BP, Berry, JJ & Zhu, K 2026, 'Why are Lead Iodide-Based Perovskite Precursor Inks Yellow?', Advanced Energy Materials, vol. 16, no. 1, e02813. https://doi.org/10.1002/aenm.202502813
Letter
Lee, D-K, Fykouras, K, Kodalle, T, Moral, RF, Schwartz, CP, Tamura, N, Lawler, KV, Leppert, L & Sutter-Fella, CM 2025, 'Strain Engineering: Reduction of Microstrain at the Perovskite Surface via Alkali Metal Chloride Treatment Enhances Stability', ACS Energy Letters, vol. 10, no. 2, pp. 1039-1049. https://doi.org/10.1021/acsenergylett.4c03334
Lechifflart, P, Biega, R-I & Leppert, L 2025, 'Structural distortions control scaling of exciton binding energies in two-dimensional Ag/Bi double perovskites', Nanoscale, vol. 17, no. 41, pp. 23924-23929. https://doi.org/10.1039/d5nr03010b
Biega, R-I, Chen, Y, Filip, MR & Leppert, L 2023, 'Chemical Mapping of Excitons in Halide Double Perovskites', Nano letters, vol. 23, no. 17, pp. 8155-8161. https://doi.org/10.1021/acs.nanolett.3c02285
Review article
Filip, MR & Leppert, L 2024, 'Halide perovskites from first principles: from fundamental optoelectronic properties to the impact of structural and chemical heterogeneity', Electronic Structure, vol. 6, no. 3, 033002. https://doi.org/10.1088/2516-1075/ad5898
Short survey
Leppert, L 2024, 'Excitons in metal-halide perovskites from first-principles many-body perturbation theory', Journal of Chemical Physics, vol. 160, no. 5, 050902. https://doi.org/10.1063/5.0187213
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