AIMD simulations of water over transition metal surfaces
- Stanford Univ., CA (United States); OSTI
- Fritz Haber Inst. of the Max Planck Society, Berlin (Germany)
- Technical Univ. of Denmark, Lyngby (Denmark)
AIMD simulations of water molecules over (111) surfaces of Ag, Au, Cu, Pt, Pd, and Rh, (211) and (100) surfaces of Ag, Au, Cu, and Pt, and (0001) surface of Ru. Data used for analysis in "OH binding energy as a universal descriptor of the potential of zero charge on transition metal surfaces," which can be found on ChemRxiv with DOI 10.26434/chemrxiv-2021-dkb6l.
- Research Organization:
- Stanford Univ., CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- DOE Contract Number:
- SC0008685
- OSTI ID:
- 1872525
- Country of Publication:
- United States
- Language:
- English
OH binding energy as a universal descriptor of the potential of zero charge on transition metal surfaces
|
posted_content | December 2021 |
| AIMD simulations of water over transition metal surfaces | dataset | January 2021 |
OH Binding Energy as a Universal Descriptor of the Potential of Zero Charge on Transition Metal Surfaces
|
journal | March 2022 |
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