标题:Adsorption of CO2and O2on SiC nanosheet: Density functional theory study
作者:Shi, Changmin ;Chen, Yanping ;Qin, Hongwei ;Li, Ling ;Hu, Jifan
作者机构:[Shi, Changmin ;Chen, Yanping ;Qin, Hongwei ;Li, Ling ;Hu, Jifan ] School of Physics, State Key Laboratory for Crystal Materials, Shandong University, 更多
通讯作者:Hu, Jifan
来源:Chemical Physics Letters
出版年:2015
卷:635
页码:23-28
DOI:10.1016/j.cplett.2015.06.028
摘要:The adsorption properties of CO2and O2on SiC nanosheets were fully investigated using the density functional theory method. CO2molecule always acted as an acceptor regardless the existence of pre-adsorbed O2on SiC nanosheet surface and attracted electrons from its surface. Theoretical results implied that SiC nanosheet was a good adsorbent of CO2molecule. Pre-adsorbed O2attracted electrons from SiC nanosheet and resulted in less electrons transferred to CO2molecule from SiC nanosheet.
© 2015 Elsevier B.V. All rights reserved.
收录类别:EI
资源类型:期刊论文
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