Diffusivity and Mobility of Adsorbed Water Layers at TiO2 Rutile and Anatase Interfaces
Molecular-dynamics simulations have been carried out to study diffusion of water molecules adsorbed to anatase-(101) and rutile-(110) interfaces at room temperature (300 K). The mean squared displacement (MSD) of the adsorbed water layers were determined to estimate self-diffusivity therein, and the...
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| Format: | Article |
| Language: | English |
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MDPI AG
2015-12-01
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| Series: | Crystals |
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| Online Access: | http://www.mdpi.com/2073-4352/6/1/1 |