MgO-decorated carbon nanotubes for CO(2) adsorption: first principles calculations
文献类型：期刊论文
| ; | |
| 作者 | Feng, Z; Shan, D; Gang, C; Feng, Z (reprint author), Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China,zhufeng@semi.ac.cn |
| 刊名 | chinese physics b
 ; CHINESE PHYSICS B
|
| 出版日期 | 2011 ; 2011 |
| 卷号 | 20期号:7页码:77103 |
| 关键词 | carbon nanotube CO(2) adsorption first principles calculations METAL-ORGANIC FRAMEWORKS ROOM-TEMPERATURE DIOXIDE Carbon Nanotube Co(2) Adsorption First Principles Calculations Metal-organic Frameworks Room-temperature Dioxide |
| ISSN号 | 1009-1963 ; 1009-1963 |
| 通讯作者 | feng, z (reprint author), chinese acad sci, inst semicond, state key lab superlattices & microstruct, beijing 100083, peoples r china，zhufeng@semi.ac.cn |
| 英文摘要 | The global greenhouse effect makes it urgent to deal with the increasing greenhouse gases. In this paper the performance of MgO-decorated carbon nanotubes for CO(2) adsorption is investigated through first principles calculations. The results show that the MgO-decorated carbon nanotubes can adsorb CO(2) well and are relatively insensitive to O(2) and N(2) at the same time. The binding energy arrives at 1.18 eV for the single-MgO-decorated carbon nanotube adsorbing one CO(2) molecule, while the corresponding values for O(2) and N(2) are 0.55 eV and 0.06 eV, respectively. In addition, multi-molecule adsorption is also proved to be very satisfactory. These results indicate that MgO-decorated carbon nanotubes have great potential applications in industrial and environmental processes. |
| 学科主题 | 半导体物理 ; 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | national natural science foundation of china[60925016] |
| 语种 | 英语 ; 英语 |
| 资助机构 | National Natural Science foundation of China[60925016] |
| 公开日期 | 2012-01-06 ; 2012-01-06 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/22693]  |
| 专题 | 半导体研究所_半导体超晶格国家重点实验室 |
| 通讯作者 | Feng, Z (reprint author), Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China,zhufeng@semi.ac.cn |
| 推荐引用方式 GB/T 7714 | Feng, Z,Shan, D,Gang, C,et al. MgO-decorated carbon nanotubes for CO(2) adsorption: first principles calculations, MgO-decorated carbon nanotubes for CO(2) adsorption: first principles calculations[J]. chinese physics b, CHINESE PHYSICS B,2011, 2011,20, 20(7):77103, 77103. |
| APA | Feng, Z,Shan, D,Gang, C,&Feng, Z .(2011).MgO-decorated carbon nanotubes for CO(2) adsorption: first principles calculations.chinese physics b,20(7),77103. |
| MLA | Feng, Z,et al."MgO-decorated carbon nanotubes for CO(2) adsorption: first principles calculations".chinese physics b 20.7(2011):77103. |
入库方式： OAI收割
来源：半导体研究所
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