519 citations · 1.5k across the 14 of their papers we have counts for
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Lattice compression increases the activation barrier for phase segregation in mixed-halide perovskites
Loreta A. Muscarella, Eline M. Hutter, Francesca Wittmann +7
The bandgap tunability of mixed-halide perovskites makes them promising candidates for light emitting diodes and tandem solar cells. However, illuminating mixed-halide perovskites…
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…
Modelling the dielectric constants of crystals using machine learning
Kazuki Morita, Daniel W. Davies, Keith T. Butler +1
The relative permittivity of a crystal is a fundamental property that links microscopic chemical bonding to macroscopic electromagnetic response. Multiple models, including analyti…
Probing the ionic defect landscape in halide perovskite solar cells
Sebastian Reichert, Qingzhi An, Young-Won Woo +3
Point defects in metal halide perovskites play a critical role in determining their properties and optoelectronic performance; however, many open questions remain unanswered. In th…
Comment on "Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination"
Sunghyun Kim, Aron Walsh
Halide perovskites exhibit slow rates of non-radiative electron-hole recombination upon illumination. Chu et al. [Sci. Adv. 6 7, eaaw7453 (2020)] use the results of first-principle…
Upper limit to the photovoltaic efficiency of imperfect crystals
Sunghyun Kim, José A. Márquez, Thomas Unold +1
The Shockley-Queisser (SQ) limit provides a convenient metric for predicting light-to-electricity conversion efficiency of a solar cell based on the band gap of the light-absorbing…