Freezing and Melting of Silver Nanoparticles on Silica Substrate Using a Simple Interatomic Potential for Ag–SiO2 Interaction on the Basis of ab Initio Calculations and Experimental Data
We have devised a Ag–SiO2 potential for Monte Carlo and molecular dynamics studies of systems comprising silver nanoparticles in contact with silica surfaces. The potential is determined based on density functional theory (DFT) calculations on β-cristobalite, a silica crystal, as well as theoretical...
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| Veröffentlicht in: | Journal of physical chemistry. C 2017-02, Vol.121 (6), p.3615-3622 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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