Effect of Ions on H-Bond Structure and Dynamics at the Quartz(101)-Water Interface
We use ab initio molecular dynamics simulations to study the effect of ions on the structure and dynamics of the quartz(101)-water interface. We study several IA (Na+, Rb+) and IIA (Mg2+, Sr2+) cations, with Cl- as counterion, adsorbed onto acidic, neutral, and basic surface configurations at 300 an...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 32(2016), 44 vom: 08. Nov., Seite 11353-11365 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2016
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article Research Support, U.S. Gov't, Non-P.H.S. Research Support, Non-U.S. Gov't |