519 citations · 1.5k across the 14 of their papers we have counts for
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Inhomogeneous Defect Distribution in Mixed-Polytype Metal Halide Perovskites
Young Won Woo, Zhenzhu Li, Young-Kwang Jung +2
The competition between corner, edge and face-sharing octahedral networks is a cause of phase inhomogeneity in metal halide perovskite thin-films. Here we probe the charged iodine…
Electronic Defects in Metal Oxide Photocatalysts
Ernest Pastor, Michael Sachs, Shababa Selim +3
A deep understanding of defects is essential for the optimisation of materials for solar energy conversion. This is particularly true for metal oxide photo(electro)catalysts, which…
Giant Huang-Rhys Factor for Electron Capture by the Iodine Interstitial in Perovskite Solar Cells
Lucy D. Whalley, Puck van Gerwen, Jarvist M. Frost +3
Improvement in the optoelectronic performance of halide perovskite semiconductors requires the identification and suppression of non-radiative carrier trapping processes. The iodin…
Bismuth-doping Alters Structural Phase Transitions in Methylammonium Lead Tribromide Single Crystals
Erin Jedlicka, Jian Wang, Joshua Mutch +8
We study the effects of bismuth doping on the crystal structure and phase transitions in single crystals of the perovskite semiconductor methylammonium lead tribromide, MAPbBr3. By…
Rapid Recombination by Cadmium Vacancies in CdTe
Seán R. Kavanagh, Aron Walsh, David O. Scanlon
CdTe is a key thin-film photovoltaic technology. Non-radiative electron-hole recombination reduces the solar conversion efficiency from an ideal value of 32% to a current champion…
Quick-start guide for first-principles modelling of point defects in crystalline materials
Sunghyun Kim, Samantha N. Hood, Ji-Sang Park +2
Defects influence the properties and functionality of all crystalline materials. For instance, point defects participate in electronic (e.g. carrier generation and recombination) a…