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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…
cond-mat.mtrl-sci2026
Decoupling Intrinsic Molecular Efficacy from Platform Effects: An Interpretable Machine Learning Framework for Unbiased Perovskite Passivator Discovery
Jing Zhang, Ziyuan Li, Shan Gao +3
Rational design of interface passivators for perovskite solar cells is hindered by the entanglement of intrinsic molecular efficacy with extrinsic platform-dependent performance -…