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Calculation of hydrogen storage capacity of metal-organic and covalent-organic frameworks by spillover
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10.1063/1.3257737
/content/aip/journal/jcp/131/17/10.1063/1.3257737
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/17/10.1063/1.3257737

Figures

Image of FIG. 1.
FIG. 1.

with two H added at C3 sites. Top view.

Image of FIG. 2.
FIG. 2.

with four H added at C3 sites. Side view.

Image of FIG. 3.
FIG. 3.

with six H added at C2 and C3 sites.

Image of FIG. 4.
FIG. 4.

Linkers for MOF and COF materials from Refs. 4, 22, and 23.

Tables

Generic image for table
Table I.

Average binding energies for one to six hydrogen atoms added to Li-BDC relative to atomic hydrogen.

Generic image for table
Table II.

Predicted hydrogen gravimetric storage density by spillover for various metal-organic and COF materials. Formula units from Refs. 4, 22, and 23. Experimental results from Refs. 6 and 7.

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/content/aip/journal/jcp/131/17/10.1063/1.3257737
2009-11-02
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Calculation of hydrogen storage capacity of metal-organic and covalent-organic frameworks by spillover
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/17/10.1063/1.3257737
10.1063/1.3257737
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