Computational Studies on Adsorptions and Reactions of Some Small Molecules on TiO2 surfaces
博士 === 國立交通大學 === 應用化學系分子科學碩博士班 === 99 === This thesis studies the adsorptions and reactions of some small molecules on the TiO2 surfaces by first-principles calculations based on the density functional theory (DFT) in conjunction with the projected augmented wave (PAW) approach, using different g...
| Main Authors: | , |
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| Format: | Others |
| Language: | en_US |
| Published: |
2011
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| Online Access: | http://ndltd.ncl.edu.tw/handle/35689406091526601577 |