Adsorption and reaction mechanisms of O2 and C2H4 on Au38 and Cu38 nanoclusters: A computational study
碩士 === 中原大學 === 化學研究所 === 103 === We have investigated the adsorption and reaction mechanisms of C2H4 and O2 catalyzed by a Au38 and Cu38 nanoclusters based on periodic density-functional theory (DFT) calculations. The configurations of the adsorption of C2H4/M38, and O2/M38, as well as the coadsorp...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2015
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| Online Access: | http://ndltd.ncl.edu.tw/handle/14913882544608502182 |