Ammonia synthesis by Nitrogen and Hydrogen on W(111)surface:A Computational Study
碩士 === 中國文化大學 === 化學系應用化學碩士班 === 103 === In our studies, we employed Vienna Ab intio Simulation Package (VASP) to calculate the N2 adsorption and hydrogenation on W(111) surface. The calculated results show that the possible coordinates of three isomers for the N2 adsorption on W(111) are WN2(T-η1-N...
| 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/82272301950536669796 |