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review article
Nuclear quantum effects at aqueous metal interfaces captured by molecular dynamics simulations
June 1, 2022
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.
Type
review article
Web of Science ID
WOS:000819856600007
Authors
Publication date
2022-06-01
Published in
Volume
33
Article Number
100934
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
July 18, 2022
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