Orientational Water Bonding on Pt(111) : Beyond the Frontier Orbital Principle
For decades, our understanding of water-metal bonding has been dominated by the frontier orbital principle in which globally stable water-metal interactions are ruled by HOMO interacting with metal surfaces. Using density functional theory calculations, herein, we have revealed that the frontier orb...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1985. - 39(2023), 31 vom: 08. Aug., Seite 11119-11133 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2023
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article |
| Online verfügbar |
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