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	Mgo-decorated carbon nanotubes for co2 adsorption: first principles calculations
	Feng, Zhu; Shan, Dong; Gang, Cheng
刊名	Chinese physics b
	2011-07-01
卷号	20期号:7页码:5
关键词	Carbon nanotube Co2 adsorption First principles calculations
ISSN号	1674-1056
DOI	10.1088/1674-1056/20/7/077103
通讯作者	Feng, zhu(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 co2 adsorption is investigated through first principles calculations. the results show that the mgo-decorated carbon nanotubes can adsorb co2 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 co2 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.
WOS关键词	METAL-ORGANIC FRAMEWORKS ; ROOM-TEMPERATURE ; DIOXIDE
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
语种	英语
出版者	IOP PUBLISHING LTD
WOS记录号	WOS:000293175900055
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2428420
专题	半导体研究所
通讯作者	Feng, Zhu
作者单位	Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China
推荐引用方式 GB/T 7714	Feng, Zhu,Shan, Dong,Gang, Cheng. Mgo-decorated carbon nanotubes for co2 adsorption: first principles calculations[J]. Chinese physics b,2011,20(7):5.
APA	Feng, Zhu,Shan, Dong,&Gang, Cheng.(2011).Mgo-decorated carbon nanotubes for co2 adsorption: first principles calculations.Chinese physics b,20(7),5.
MLA	Feng, Zhu,et al."Mgo-decorated carbon nanotubes for co2 adsorption: first principles calculations".Chinese physics b 20.7(2011):5.

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