17 citations · 27 across the 4 of their papers we have counts for
10 papers
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…
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…
Defect Physics of Pseudo-cubic Mixed Halide Lead Perovskites from First Principles
Arun Mannodi-Kanakkithodi, Ji-Sang Park, Alex B. F. Martinson +1
Owing to the increasing popularity of lead-based hybrid perovskites for photovoltaic (PV) applications, it is crucial to understand their defect physics and its influence on their…
Stabilization and self-passivation of symmetrical grain boundaries by mirror symmetry breaking
Ji-Sang Park
While computational methods for the study of point defects in materials have received significant attention, methods for the investigation of grain boundaries require further devel…
Open-Circuit Voltage Deficit in Cu2ZnSnS4 Solar Cells by Interface Band Gap Narrowing
Ji-Sang Park, Sunghyun Kim, Samantha N. Hood +1
There is evidence that interface recombination in Cu2ZnSnS4 solar cells contributes to the open-circuit voltage deficit. Our hybrid density functional theory calculations suggest t…
Lone-pair effect on carrier capture in CuZnSnS solar cells
Sunghyun Kim, Ji-Sang Park, Samantha N. Hood +1
The performance of kesterite thin-film solar cells is limited by a low open-circuit voltage due to defect-mediated electron-hole recombination. We calculate the non-radiative carri…