期刊
CHEMISTRY OF MATERIALS
卷 21, 期 22, 页码 5406-5412出版社
AMER CHEMICAL SOC
DOI: 10.1021/cm9014749
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资金
- DST
- DRDO
- CSIR
A lanthanide-alkali (Ho-III-K-I) bimetallic alpha-Po type 3D framework {KHo(C2O4)(2)(H2O)(4)}(n) (I) (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 H-2 storage capability. High heat of H-2 sorption (approximately -10 kJ/mol) observed in experiment is shown to arise from the preferential interaction of H-2 With unsaturated K-I 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.
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