A periodic DFT study on adsorption of small molecules (CH4, CO, H2O, H2S, NH3) on the WO3 (001) surface-supported Au
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A periodic DFT study on adsorption of small molecules (CH4, CO, H2O, H2S, NH3) on the WO3 (001) surface-supported Au |
| Long Lin,Jingtao Huang,Weiyang Yu,Chaozheng He,Hualong Tao,Yonghao Xu,Linghao Zhu,Pengtao Wang,Zhanying Zhang |
| Figure 13. Band structures of different gases on pure and Au-doped WO3(001) surfaces. Among them, (a), (c), (e), (g), (i) are the band structures of CH4, CO, H2O, H2S, NH3 gases on the pure WO3(001) surface, (b), (d), (f), (h), (j) are the band structures of CH4, CO, H2O, H2S, NH3 gases on Au-doped WO3(001) surface, respectively. |
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