Hydrogen storage in zeolite imidazolate frameworks. A multiscale theoretical investigation

International Journal of Hydrogen Energy

Volumn 36, Issue 10, 2011, Pages 6005-6013

  Assfour, Bassem ^a   Leoni, Stefano ^a   Yurchenko, Sergei ^a   Seifert, Gotthard ^a  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

GCMC; Hydrogen storage; MP2; ZIFs

Indexed keywords

AB INITIO CALCULATIONS; GCMC; GRAND CANONICAL MONTE-CARLO; HYDROGEN ADSORPTION; HYDROGEN MOLECULE; HYDROGEN UPTAKE; IMIDAZOLATE; INTERACTION ENERGIES; MP2; MP2 LEVELS; MULTI-SCALE APPROACHES; MULTISCALES; NANOPOROUS ZEOLITE; ORGANIC LINKERS; PRESSURE AND TEMPERATURE; THEORETICAL INVESTIGATIONS; THERMODYNAMIC CONDITIONS; ZIFS;

CALCULATIONS; GAS ADSORPTION; HYDROGEN; MONTE CARLO METHODS;

HYDROGEN STORAGE;

EID: 79955464734     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2011.02.044     Document Type: Article

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