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Hydrogen adsorption by tungsten carbide nanotube
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10.1063/1.2744479
/content/aip/journal/apl/90/22/10.1063/1.2744479
http://aip.metastore.ingenta.com/content/aip/journal/apl/90/22/10.1063/1.2744479

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Atomic configuration of (a) a tungsten carbide sheet and (b) a tungsten carbide nanotube with a hydrogen molecule.

Image of FIG. 2.
FIG. 2.

(Color online) Binding energy of a hydrogen atom as a function of its distance from the outer wall of the WCNT (10, 0).

Image of FIG. 3.
FIG. 3.

(Color online) Total energy of a hydrogen molecule as a function of its distance from the outer wall of the WCNT (10, 0). The inset shows similar results for a hydrogen molecule approaching the CNT (10, 0).

Image of FIG. 4.
FIG. 4.

(Color online) Contribution of one of the two H atoms, the C atom, and the W atom to which was bonded to the PDOS. The inset shows the fine view of PDOS near the Fermi level. The dashed line indicates the Fermi level .

Tables

Generic image for table
Table I.

Bond length in the fully optimized tungsten carbide bulk, planner structure, and nanotube.

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/content/aip/journal/apl/90/22/10.1063/1.2744479
2007-05-29
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Hydrogen adsorption by tungsten carbide nanotube
http://aip.metastore.ingenta.com/content/aip/journal/apl/90/22/10.1063/1.2744479
10.1063/1.2744479
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