Theoretical study of NO adsorption on gold surfaces |
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Authors: | WANG YingYing ZHANG DongJu & LIU ChengBu Institute of Theoretical Chemistry Sh ong University Jinan China |
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Institution: | WANG YingYing,ZHANG DongJu & LIU ChengBu Institute of Theoretical Chemistry,Shandong University,Jinan 250100,China |
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Abstract: | The activities of neutral,anionic,and cationic Au(111),Au(100),and Au(310) surfaces,as well as an Au adatom on Au(111) surface towards NO adsorption have been studied by performing density functional theory calculations.It was found that the activity of gold increases as the coordination number of the gold atoms decreases,and that the cationic surfaces are generally more active than the neutral and anionic surfaces.The activity of Au surfaces towards NO adsorption is attributable to the presence of low coor... |
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Keywords: | gold surfaces NO adsorption density functional theory |
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