A-site cation influence on the conduction band of lead bromide perovskites

GJ Man, C Kamal, A Kalinko, D Phuyal… - Nature …, 2022 - nature.com
Hot carrier solar cells hold promise for exceeding the Shockley-Queisser limit. Slow hot
carrier cooling is one of the most intriguing properties of lead halide perovskites and …

Electronic structures and molecular dynamics of gadolinium-doped FAPbI3 perovskite crystals

A Suzuki, T Oku - Japanese Journal of Applied Physics, 2023 - iopscience.iop.org
The additive effect of a gadolinium ion into a formamidinium lead iodide (FAPbI 3) perovskite
crystal on electronic structures and molecular dynamics was investigated for improving …

Antimony Bromide Organic–Inorganic Hybrid Compound with a Long-Chain Diamine Showing Switchable Phase Transition and Second-Harmonic Generation …

Z Peng, P Wang, Z Wei, W Guo, H Zhang… - Inorganic …, 2023 - ACS Publications
Organic–inorganic hybrid metal halides have attracted significant attention in recent years
due to their excellent optoelectronic properties and potential applications in solar cells …

Metal halide perovskite layers studied by scanning transmission X-ray microscopy

C Dindault, H Jun, D Tondelier, B Geffroy, JE Bourée… - RSC …, 2022 - pubs.rsc.org
We describe the investigation of metal halide perovskite layers, particularly CH3NH3PbI3
used in photovoltaic applications, by soft X-ray scanning transmission X-ray microscopy …

Electronic structure and chemical bonding in methylammonium lead triiodide and its precursor methylammonium iodide

CM Sterling, C Kamal… - The Journal of …, 2022 - ACS Publications
A detailed examination of the electronic structures of methylammonium lead triiodide (MAPI)
and methylammonium iodide (MAI) is performed with ab initio molecular dynamics (AIMD) …

Experimental and theoretical core level and valence band analysis of clean perovskite single crystal surfaces

A García‐Fernández, S Svanström, CM Sterling… - Small, 2022 - Wiley Online Library
A detailed understanding of the surface and interface properties of lead halide perovskites is
of interest for several applications, in which these materials may be used. To develop this …

Band gaps of hybrid metal halide perovskites: efficient estimation

SM Butorin - ACS Applied Energy Materials, 2024 - ACS Publications
The employment of the parameter-free Armiento–Kümmel generalized gradient
approximation (AK13-GGA) exchange functional was examined as a means of the band gap …

Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states

JM Seymour, E Gousseva, RA Bennett, AI Large… - Faraday …, 2022 - pubs.rsc.org
Valence electronic structure is crucial for understanding and predicting reactivity. Valence
non-resonant X-ray photoelectron spectroscopy (NRXPS) provides a direct method for …

Spatial microheterogeneity in the valence band of mixed halide hybrid perovskite materials

A Erbing, B Philippe, B Park, UB Cappel… - Chemical …, 2022 - pubs.rsc.org
The valence band of lead halide hybrid perovskites with a mixed I/Br composition is
investigated using electronic structure calculations and complementarily probed with hard X …

[PDF][PDF] Metal halide perovskite layers studied by scanning transmission X-ray microscopy

YB Bourée, P Schulz, S Swaraj - pdfs.semanticscholar.org
We describe the investigation of metal halide perovskite layers, particularly CH3NH3PbI3
used in photovoltaic applications, by soft X-ray scanning transmission X-ray microscopy …