Improving the hydrogen storage capacity of metal organic framework by chemical functionalization

International Journal of Hydrogen Energy

Volumn 37, Issue 21, 2012, Pages 16070-16077

  Kumar, R Mahesh ^a   Sundar, J Vijaya ^a   Subramanian, V ^a  

^a CENTRAL LEATHER RESEARCH INSTITUTE   (India)

Author keywords

DFT; Hydrogen storage; Metal Organic Frameworks; Quantum theory of atoms in molecules; VASP

Indexed keywords

BOND CRITICAL POINTS; BULK STORAGE; CHEMICAL FUNCTIONALIZATION; DFT; HYDROGEN MOLECULE; HYDROGEN STORAGE CAPACITIES; INTERACTION ENERGIES; INTERMOLECULAR DISTANCE; METAL ORGANIC FRAMEWORK; QUANTUM THEORY OF ATOMS IN MOLECULES; ROOM TEMPERATURE; SH GROUPS; TERPHENYLS; VASP;

BINDING SITES; CHROMIUM; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN STORAGE; MOLECULES; ORGANIC POLYMERS; QUANTUM THEORY; TRANSITION METALS;

SCANDIUM;

EID: 84867396735     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2012.08.052     Document Type: Article

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