Investigating the quartz (1010)/water interface using classical and ab initio molecular dynamics
Two different terminations of the (1010) surface of quartz (α and β) interacting with water are simulated by classical (CMD) (using two different force fields) and ab initio molecular dynamics (AIMD) and compared with previously published X-ray reflectivity (XR) experiments. Radial distribution func...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1985. - 27(2011), 14 vom: 19. Juli, Seite 8700-9 |
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| Weitere Verfasser: | , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2011
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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. Water 059QF0KO0R Quartz 14808-60-7 |
| Online verfügbar |
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