Author

M. Képénekian

2 papers indexed here

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Sep 2026

Metformin Spacer Conformation Is a Structure-Directing Element in a 2D Perovskite with Strong X-ray Response

Direct X-ray detection in two-dimensional (2D) hybrid metal-halide perovskites is dictated by the interplay between organic spacer chemistry, crystal structure, and charge transport. Among these materials, the metformin (MF2+)-based perovskite MFPbI4 has recently emerged as a promising X-ray detector, exhibiting high...

Taylor E. Wiggins, K. Bayikadi, M. Képénekian et al. · Journal of the American Chem... · 0 citations

Open access Jul 2026

Constructing density functional tight-binding parameters for electronic structure modeling of lead-bromide perovskites, perovskitoids, and related structures.

Density functional tight-binding (DFTB), a semi-empirical approach rooted in density functional theory, is well-suited for simulating large periodic systems. Following Jiang et al. [Phys. Rev. Mater. 9, 023803 (2025)], we have specifically tailored DFTB parameters for accurate electronic bandgap calculations in both th...

Junke Jiang, T. van der Heide, Simon Thébaud et al. · Journal of Chemical Physics · 0 citations