Improving hydrogen storage capacity of MOF by functionalization of the organic linker with lithium atoms

Nano Letters

Volumn 8, Issue 6, 2008, Pages 1572-1576

  Klontzas, Emmanouel ^a   Mavrandonakis, Andreas ^a   Tylianakis, Emmanuel ^b   Froudakis, George E ^a  

^a UNIVERSITY OF CRETE   (Greece)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONAL GROUPS; HYDROGEN; LITHIUM;

AB-INITIO CALCULATIONS; FUNCTIONALIZATION; GRAND CANONICAL MONTE CARLO SIMULATIONS; GRAVIMETRIC CAPACITIES; HYDROGEN MOLECULES; HYDROGEN STORAGE CAPACITIES; INTERACTION ENERGIES; LITHIUM ALKOXIDE; LITHIUM ATOMS; MET-AL-ORGANIC FRAMEWORKS; ORGANIC LINKERS; ROOM TEMPERATURES; THERMODYNAMIC CONDITIONS;

HYDROGEN STORAGE;

CROSS LINKING REAGENT; HYDROGEN; LITHIUM; ORGANIC COMPOUND;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ISOLATION AND PURIFICATION;

COMPUTER SIMULATION; CROSS-LINKING REAGENTS; HYDROGEN; LITHIUM; MODELS, CHEMICAL; ORGANIC CHEMICALS;

EID: 48449103175     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl072941g     Document Type: Article

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