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Título : Structure of Porous Copper Prussian Blue Analogues: Nature of Their High H2 Storage Capacity
Fecha de publicación : 16-ene-2013
Editorial : J. Phys. Chem
Descripción : Within porous Prussian blue to copper the highest H2 storage capacity is observed. Such behavior finds explanation in the crystal structure for Cu3[M(CN)6]2 with M ) Fe, Co, Ir. The crystal structure of Prussian blue analogues is usually solved and refined with a cubic unit cell in the Fm3 jm space group, which corresponds to a random vacancy distribution. However, a careful evaluation of X-ray diffraction powder patterns of copper-containing compositions reveals a deviation from that structural model. The crystal structure for the considered series of copper hexacyanometallates(III) was found to be also cubic but in the Pm3 jm space group related to a nonrandom vacancy distribution. To this model 50% of vacancies for the building block, [M(CN)6], corresponds, which is quite different from the value of 33.3% in the Fm3 j m structural model. Mo¨ssbauer spectra and high pressure H2 adsorption isotherms support the assignment of the Pm3 jm space group for the studied series of copper Prussian blue analogues. The implications of a nonrandom vacancy distribution on the physical properties of these materials are discussed.
URI : http://www.repositoriodigital.ipn.mx/handle/123456789/10951
Otros identificadores : J. Phys. Chem. C 2010, 114, 5043–5048
Aparece en las colecciones: Doctorado

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