35 citations · 35 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2024
Machine Learning-Enhanced Design of Lead-Free Halide Perovskite Materials Using Density Functional Theory
Upendra Kumar, Hyeon Woo Kim, Gyanendra Kumar Maurya +5
The investigation of emerging non-toxic perovskite materials has been undertaken to advance the fabrication of environmentally sustainable lead-free perovskite solar cells. This st…
cond-mat.mtrl-sci2016★ 35 cited
Ag diffusion in SiC high-energy grain boundaries: kinetic Monte Carlo study with first-principle calculations
Hyunseok Ko, Jie Deng, Izabela Szlufarska +1
The diffusion of silver (Ag) impurities in high energy grain boundaries (HEGBs) of cubic (3C) silicon carbide (SiC) is studied using an ab initio based kinetic Monte Carlo (kMC) mo…