Recent publications
Article
Knodt, M, Mayer, LM, Gareis, E, von der Haar, F, Hörner, G, Leppert, L, Weber, B, Marschall, R & Kümmel, S 2026, 'Determining the binding strength of phenolic anchoring groups on hydrated WO3 surfaces', Physical Chemistry Chemical Physics, vol. 28, no. 28, pp. 17288-17298. https://doi.org/10.1039/d6cp00628k
Lie, F & Leppert, L 2026, 'Excitonic Structure and Dynamics in Two-Dimensional Halide Perovskites', Nano letters, vol. 26, no. 31, pp. 10024-10036. https://doi.org/10.1021/acs.nanolett.6c02134
Deschene, CR, Ke, F, Fykouras, K, Su, AC, Lin, Y, Leppert, L, Karunadasa, HI & Matheu, R 2026, 'Pyridinium Cations Act as Charge Reservoirs in Expanded Halide Perovskite Analogs at High Pressure', Angewandte Chemie - International Edition, vol. 65, no. 43, e2495859. https://doi.org/10.1002/anie.2495859
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
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
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
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
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
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
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
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