A DFT Study of Water-gas Shift Reaction and Ethanol Decomposition on Ni(111) Surface
碩士 === 國立臺灣科技大學 === 化學工程系 === 98 === Water-gas shift (WGS) reaction and ethanol decomposition on Ni (111) surface were studied using periodic DFT calculations. Two mechanisms of WGS reaction on Ni (111) surface, redox and carboxyl mechanisms, were considered in this study. The rate-determining step...
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| Format: | Others |
| Language: | en_US |
| Published: |
2010
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| Online Access: | http://ndltd.ncl.edu.tw/handle/17804312376083137951 |