3 papers
cond-mat.mtrl-sci2019
Symbolic Regression Discovery of New Perovskite Catalysts with High Oxygen Evolution Reaction Activity
Baicheng Weng, Zhilong Song, Rilong Zhu +5
Symbolic regression (SR) is an emerging method for building analytical formulas to find models that best fit data sets. Here, SR was used to guide the design of new oxide perovskit…
cond-mat.mtrl-sci2018
Stability Engineering of Halide Perovskite via Machine Learning
Zhenzhu Li, Qichen Xu, Qingde Sun +2
Perovskite stability is of the core importance and difficulty in current research and application of perovskite solar cells. Nevertheless, over the past century, the formability an…
cond-mat.mtrl-sci2018
Stability Trend of Tilted Perovskites
Fazel Shojaei, Wan-Jian Yin
Halide perovskites, with prototype cubic phase ABX3, undergo various phase transitions accompanied by rigid rotations of corner-sharing BX6 octahedra. Using first-principles densit…