量子
分子动力学
水溶液
量子动力学
接口(物质)
化学物理
纳米技术
材料科学
物理
化学
量子力学
物理化学
吉布斯等温线
作者
Jinggang Lan,Marcella Iannuzzi
标识
DOI:10.1016/j.coelec.2021.100934
摘要
In this review, we summarize the recent development in modeling nuclear quantum effects at aqueous metal interfaces. First, we review the nuclear quantum effects on the water-metal interface at ultrahigh vacuum. Then, we illustrate the nuclear quantum effects at the potential of zero charge conditions. At last, we give some outlook for the perspective work in modeling the nuclear quantum effects at electrochemical interfaces and some practical simulation strategies.
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