Density-Functional Theory Calculation of the NOx (x=1,2) Adsorption and Decomposition Resction over a M(111) (M= Cu, Ir, CuIr) Surface
碩士 === 國立臺灣師範大學 === 化學系 === 98 === 1st part: Adsorption and dissociation of NOx (x = 1, 2) molecules on the Cu(111) surface. Spin-polarized density functional theory calculation is employed to study the adsorption and dissociation of NO2 molecule on Cu(111) surface. It is shown that the most favo...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2010
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| Online Access: | http://ndltd.ncl.edu.tw/handle/06476317753935327595 |