Propensity of Water Self-Ions at Air(Oil)-Water Interfaces Revealed by Deep Potential Molecular Dynamics with Enhanced Sampling
The preference of water self-ions (hydronium and hydroxide) toward air/oil-water interfaces is one of the hottest topics in water research due to its importance for understanding properties, phenomena, and reactions of interfaces. In this work, we performed enhanced-sampling molecular dynamics simul...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1985. - 41(2025), 5 vom: 11. Feb., Seite 3675-3683 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
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2025
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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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