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A theoretical study on CO sensing mechanism of In-doped SnO2 (1 1 0) surface
作者:WH Yang,WC Lu,XY Xue,QJ Zang
關鍵字:CO adsorption , SnO2 (110) surface ,In-doping , Gas sensor
論文來源:期刊
具體來源:Chemistry
發(fā)表時間:2015年
     The CO adsorption on the In-doped SnO 2 (1021020) surface has been studied by the first-principles calculations based on density functional theory. The study reveals that CO can be chemically adsorbed on the bridge site of the In-doped SnO 2 (1021020) surface transforming into CO 2 . The favorable oxidization of CO on the surface occurs with a small reaction barrier of 1.0302eV and is exothermic by 1.7202eV. These results suggest that the In-doping can contribute to the improvement of gas sensing properties of the SnO 2 -based sensors for CO gas.
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