2 papers
cond-mat.mtrl-sci2026
Precursor-Dependent Energetics as a Predictive Principle for Polymorph Selection in Thin Films
Hyeon Woo Kim, Han Uk Lee, Rohan Mishra +1
Vapor deposition allows for the synthesis of metastable polymorphs with unique properties, yet polymorph selection remains largely empirical due to the lack of predictive guideline…
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…