Molecular dynamics simulations of electrochemical interfaces
Published in JCP, 2023
Recommended citation: Liang Zeng, Jiaxing Peng, Jinkai Zhang, Xi Tan, Xiangyu Ji, Shiqi Li, Guang Feng*, Molecular dynamics simulations of electrochemical interfaces, The Journal of Chemical Physics, 2023, 159(9), 091001. https://pubs.aip.org/aip/jcp/article/159/9/091001/2909729
This review comprehensively examines molecular dynamics simulations of electrochemical interfaces, specifically addressing the utilization and implementation of constant potential methods within this domain. The principal objective of this paper is to elucidate the practical utility and potential implications of employing constant potential methods in the study of electrochemical interfaces, thereby providing an in-depth insight into the intricate interactions and dynamics at the molecular level.