2 papers
cond-mat.mtrl-sci2026
Large Out-of-plane Polarization in Two-dimensional Bi2O3 Monolayers Predicted by an AI-driven Inverse-design Workflow
Hongmei Tan, Jing Zhang, Shan Gao +2
Two-dimensional (2D) polar oxides with built-in electric fields offer promising opportunities for nanoscale electronics, optoelectronics, and surface charge engineering. However, t…
physics.chem-ph2025
Identifying the Catalytic Descriptor of Single-Atom Catalysts in Nitrate Reduction Reaction: An Interpretable Machine-Learning Method
Zhen Zhu, Shan Gao, Jing Zhang +3
Elucidating the catalytic descriptor that accurately characterizes the structure-activity relationships of typical catalysts for various important heterogeneous catalytic reactions…