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 9. Charge differential density of different gases on pure and Au-doped WO3(001) surfaces. Among them, (a), (c), (e), (g), (i) are the charge differential density of CH4, CO, H2O, H2S, NH3 gases on the pure WO3(001) surface, (b), (d), (f), (h), (j) are the charge differential density of CH4, CO, H2O, H2S, NH3 gases on Au-doped WO3(001) surface, respectively. |
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