Lattice gas model for H2 adsorption in nanoporous zinc hexacyanometallates

Carlos Rodríguez; Edilso Reguera; Manuel Ávila

doi:10.1021/jp907750v

Lattice gas model for H₂ adsorption in nanoporous zinc hexacyanometallates

Carlos Rodríguez, Edilso Reguera, Manuel Ávila

Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada (CICATA), Unidad Legaria

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

Zinc hexacyanometallates Zn₃A₂[M(CN) ₆]₂ with different exchangeable alkaline cations A ⁺ and framework transition metals M constitute an excellent model system to study H₂ adsorption in nanoporous solids. A lattice gas approach, based on experimental data and simple considerations on the position and energies of adsorption sites, is proposed. Coverage and adsorption enthalpies are calculated and compared with experimental results. The interplay of three necessary conditions for H₂ storage in porous solids-free volume to accommodate guest molecules, charge centers to bind them, and fast diffusion during adsorption or desorption-is discussed.

Original language	English
Pages (from-to)	9322-9327
Number of pages	6
Journal	Journal of Physical Chemistry C
Volume	114
Issue number	20
DOIs	https://doi.org/10.1021/jp907750v
State	Published - 27 May 2010

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abstract = "Zinc hexacyanometallates Zn3A2[M(CN) 6]2 with different exchangeable alkaline cations A + and framework transition metals M constitute an excellent model system to study H2 adsorption in nanoporous solids. A lattice gas approach, based on experimental data and simple considerations on the position and energies of adsorption sites, is proposed. Coverage and adsorption enthalpies are calculated and compared with experimental results. The interplay of three necessary conditions for H2 storage in porous solids-free volume to accommodate guest molecules, charge centers to bind them, and fast diffusion during adsorption or desorption-is discussed.",

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AU - Reguera, Edilso

AU - Ávila, Manuel

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AB - Zinc hexacyanometallates Zn3A2[M(CN) 6]2 with different exchangeable alkaline cations A + and framework transition metals M constitute an excellent model system to study H2 adsorption in nanoporous solids. A lattice gas approach, based on experimental data and simple considerations on the position and energies of adsorption sites, is proposed. Coverage and adsorption enthalpies are calculated and compared with experimental results. The interplay of three necessary conditions for H2 storage in porous solids-free volume to accommodate guest molecules, charge centers to bind them, and fast diffusion during adsorption or desorption-is discussed.

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ER -

Lattice gas model for H₂ adsorption in nanoporous zinc hexacyanometallates

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