Publication: Nuclear quantum effects at aqueous metal interfaces captured by molecular dynamics simulations
Nuclear quantum effects at aqueous metal interfaces captured by molecular dynamics simulations
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Lan, J., & Iannuzzi, M. (2022). Nuclear quantum effects at aqueous metal interfaces captured by molecular dynamics simulations. Current Opinion in Electrochemistry, 33, 100934. https://doi.org/10.1016/j.coelec.2021.100934
Abstract
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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 ultra-high 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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- Lan, Jinggang
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Lan, J., & Iannuzzi, M. (2022). Nuclear quantum effects at aqueous metal interfaces captured by molecular dynamics simulations. Current Opinion in Electrochemistry, 33, 100934. https://doi.org/10.1016/j.coelec.2021.100934
