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Ni-dispersed fullerenes: Hydrogen storage and desorption properties
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10.1063/1.2168775
/content/aip/journal/apl/88/5/10.1063/1.2168775
http://aip.metastore.ingenta.com/content/aip/journal/apl/88/5/10.1063/1.2168775
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The optimized geometries for . There are four stable positions for Ni dispersion at: (a) the center of pentagonal ring, (b) the center of hexagonal ring, (c) the edge between pentagonal and hexagonal rings, and (d) the edge between two hexagonal rings, where gray colors are for C atoms.

Image of FIG. 2.
FIG. 2.

Hydrogen adsorption energy per on the cluster, where is 1 to 3.

Image of FIG. 3.
FIG. 3.

(Color online) Hydrogenated Ni-dispersed . Three hydrogen molecules could be adsorbed to a Ni atom. Carbon, nickel, and hydrogen atoms are shown in silver, yellow, and black, respectively.

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/content/aip/journal/apl/88/5/10.1063/1.2168775
2006-01-31
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Ni-dispersed fullerenes: Hydrogen storage and desorption properties
http://aip.metastore.ingenta.com/content/aip/journal/apl/88/5/10.1063/1.2168775
10.1063/1.2168775
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