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Lan, Jinggang; Iannuzzi, Marcella (2022). Nuclear quantum effects at aqueous metal interfaces captured by molecular dynamics simulations. Current Opinion in Electrochemistry, 33:100934.
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.
| Item Type: | Journal Article, refereed, original work |
|---|---|
| Communities & Collections: | 07 Faculty of Science > Department of Chemistry |
| Dewey Decimal Classification: | 540 Chemistry |
| Scopus Subject Areas: | Physical Sciences > Analytical Chemistry
Physical Sciences > Electrochemistry |
| Uncontrolled Keywords: | Electrochemistry, Analytical Chemistry |
| Language: | English |
| Date: | 1 June 2022 |
| Deposited On: | 14 Jul 2023 09:43 |
| Last Modified: | 29 Dec 2024 02:38 |
| Publisher: | Elsevier |
| ISSN: | 2451-9103 |
| OA Status: | Hybrid |
| Publisher DOI: | https://doi.org/10.1016/j.coelec.2021.100934 |
| Project Information: |
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Lan, Jinggang