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Start Over Author "Snurr, Randall Q." Journal chemical physics letters Publisher elsevier b.v.

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1. Effect of metal alkoxide functionalization on hydrogen mobility in metal–organic frameworks.

Author

Colón, Yamil J., Brand, Stephen K., and Snurr, Randall Q.

Subjects
*ALKOXIDES, *HYDROGEN production, *METAL-organic frameworks, *DIFFUSION coefficients, *MOLECULAR dynamics, *MASS transfer
Abstract

Highlights: [•] MOFs with Mg alkoxide functionalizations were studied. [•] Hydrogen diffusion coefficients were obtained from MD simulations. [•] Results suggest interesting differences in diffusivities. [•] Mass transfer should be rapid in hydrogen storage applications of these materials. [ABSTRACT FROM AUTHOR]

Published
2013
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