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MgO-decorated carbon nanotubes for CO(2) adsorption: first principles calculations
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
2011
Source PublicationCHINESE PHYSICS B
ISSN1009-1963
Volume20Issue:7Pages:77103
AbstractThe 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.
metadata_83半导体超晶格国家重点实验室
KeywordCarbon Nanotube Co(2) Adsorption First Principles Calculations Metal-organic Frameworks Room-temperature Dioxide
Subject Area半导体物理
Funding OrganizationNational Natural Science foundation of China[60925016]
Indexed BySCI
Language英语
Date Available2012-01-06
Document Type期刊论文
Identifierhttp://ir.semi.ac.cn/handle/172111/22693
Collection半导体超晶格国家重点实验室
Corresponding AuthorFeng, Z (reprint author), Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China,zhufeng@semi.ac.cn
Recommended Citation
GB/T 7714
Feng, Z,Shan, D,Gang, C,et al. MgO-decorated carbon nanotubes for CO(2) adsorption: first principles calculations[J]. CHINESE PHYSICS B,2011,20(7):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.
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