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	Alkali-metal-doped B/sub 80/ as high-capacity hydrogen storage media
	Yuanchang Li ; Gang Zhou ; Jia Li ; Bin-Ling Gu ; Wenhui Duan
	2010-10-12 ; 2010-10-12
关键词	Theoretical or Mathematical/ ab initio calculations adsorption binding energy bonds (chemical) charge exchange desorption doping fullerene compounds hydrogen storage lithium potassium sodium/ alkali-metal-doped B/sub 80/ fullerenes high-capacity hydrogen storage media first-principle calculations bonding charge transfer charge redistribution binding energies gravimetric densities reversible hydrogen adsorption-desorption B/sub 80/Li B/sub 80/Na/sub 12/ B/sub 80/K/sub 12// A8640K Hydrogen storage and technology A6148 Structure of fullerenes and fullerene-related materials A6845D Adsorption and desorption kinetics evaporation and condensation A8265M Sorption and accommodation coefficients (surface chemistry) A6170T Doping and implantation of impurities/ B80Li/bin B80/bin Li/bin B/bin B80Na12/bin Na12/bin B80/bin Na/bin B/bin B80K12/bin B80/bin K12/bin B/bin K/bin
中文摘要	We study the feasibility of the alkali-metal (AM = Li, Na, K)-doped B/sub 80/ fullerenes for hydrogen storage using first-principles calculations. It is found that the AM atoms are strongly attached at the centers of the pentagons of the B/sub 80/, forming B/sub 80/AM/sub m/ complexes (1
语种	英语
出版者	American Chemical Society ; USA
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/81618]
专题	清华大学
推荐引用方式 GB/T 7714	Yuanchang Li,Gang Zhou,Jia Li,et al. Alkali-metal-doped B/sub 80/ as high-capacity hydrogen storage media[J],2010, 2010.
APA	Yuanchang Li,Gang Zhou,Jia Li,Bin-Ling Gu,&Wenhui Duan.(2010).Alkali-metal-doped B/sub 80/ as high-capacity hydrogen storage media..
MLA	Yuanchang Li,et al."Alkali-metal-doped B/sub 80/ as high-capacity hydrogen storage media".(2010).

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