Density Functional Theory Study of Water Gas Shift Reaction on ZnO(100) and Pd/ZnO(100) Surfaces
碩士 === 國立臺灣科技大學 === 化學工程系 === 97 === Density Functional Theory based calculations using the GGA/PW91 exchange-correlation functional have been carried out to investigate H2O and CH3OH adsorption and reaction on ZnO(101 ̅0) and Pd/ZnO(101 ̅0) surfaces. In addition, CO oxidation on both clean and defe...
| Main Authors: | , |
|---|---|
| Other Authors: | |
| Format: | Others |
| Language: | en_US |
| Published: |
2009
|
| Online Access: | http://ndltd.ncl.edu.tw/handle/72858819331399913662 |