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
来源：Chemical Physics Letters
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.
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