Theoretical Calculation to study the Following Reactions:I.The Interaction of NOx on Ni(111) surface.II.The NO Dissociation on Ni-Pt bimetallic SurfacesIII.The CO2 Reaction on WC and WC-Co alloy Surfaces
博士 === 國立臺灣師範大學 === 化學系 === 100 === Abstract 1st part: The interaction of NOx on Ni(111) surface investigated with quantum-chemical calculations We applied periodic density-functional theory to investigate the interaction of NOx on Ni(111) surface for small and large coverages. For a small co...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2011
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| Online Access: | http://ndltd.ncl.edu.tw/handle/4p2e26 |