Unified and Transferable Description of Dynamics for H2 Dissociative Adsorption on Multiple Copper Surfaces via Machine Learning

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript DOI: 10.1039/D0CP02291H, PaperLingjun Zhu, Yaolong Zhang, Liang Zhang, Xueyao Zhou, Bin Jiang Dynamics of gas-surface reactions is of fundamental importance to various interfacial problems. Accurate modeling of gas-surface reaction dynamics requires a globally accurate reactive potential energy surface (PES), typically specialized for... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - June 2, 2020 Category: Chemistry Authors: Lingjun Zhu Source Type: research