Immobilization of alkali metal ions in a 3D lanthanide-organic framework: selective sorption and H2 storage characteristics

Mohapatra, Sudip ; Hembram, K. P. S. S. ; Waghmare, Umesh ; Maji, Tapas Kumar (2009) Immobilization of alkali metal ions in a 3D lanthanide-organic framework: selective sorption and H2 storage characteristics Chemistry of Materials, 21 (22). pp. 5406-5412. ISSN 0897-4756

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Official URL: http://pubs.acs.org/doi/abs/10.1021/cm9014749

Related URL: http://dx.doi.org/10.1021/cm9014749

Abstract

A lanthanide-alkali (HoIII-KI) bimetallic α-Po type 3D framework {KHo(C2O4)2(H2O)4}n (1) (C2O42− = oxalate dianion) has been synthesized and structurally characterized. Its dehydrated framework 1', after removal of the K-bound water molecules, is found to exhibit permanent porosity with a clear size selective vapor sorption properties and H2 storage capability. High heat of H2 sorption (approximately -10 kJ/mol) observed in experiment is shown to arise from the preferential interaction of H2 with unsaturated KI sites decorated on the pore surfaces, using first-principles density functional theory-based calculations of energetics as well as the detailed structure. Our work shows that a material with better hydrogen storage and release properties can be developed through immobilization of unsaturated reactive alkali metal ions at the pore surfaces in a metal-organic framework.

Item Type:Article
Source:Copyright of this article belongs to American Chemical Society.
ID Code:59359
Deposited On:06 Sep 2011 05:48
Last Modified:06 Sep 2011 05:48

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