Strong physisorption site for H2 in K- and Li-doped porous carbons

Journal of Chemical Physics

Volumn 129, Issue 22, 2008, Pages

  Pellenq, Roland J M ^a,e   Marinelli, Francis ^b   Fuhr, Javier D ^a,f   Fernandez Alonso, Felix ^c,g   Refson, Keith ^d  

^a AIX MARSEILLE UNIVERSITÉ   (France)

^b AIX MARSEILLE UNIVERSITÉ   (France)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^d RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^e Massachusetts Institute of Technology Cambridge   (United States)

^f CENTRO ATÓMICO BARILOCHE   (Argentina)

^g UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

A STABLES; ADSORPTION ENERGIES; ATOMIC CONFIGURATIONS; B3LYP CALCULATIONS; CARBON ATOMS; CARBON STRUCTURES; CLUSTER CALCULATIONS; CORONENE MOLECULES; DOPING AGENTS; DOPING IONS; ENERGY MINIMIZATIONS; HYDROGEN MOLECULES; INTER-LAYERS; INTERLAYER SPACINGS; K-DOPED; LOCAL ENVIRONMENTS; MOLECULAR HYDROGENS; POLARIZABILITY; POLARIZATION INTERACTIONS; POROUS CARBONS;

ADSORPTION; ATOMIC PHYSICS; CHARGE TRANSFER; DOPING (ADDITIVES); ELECTRIC FIELDS; ELECTRONIC PROPERTIES; HYDROGEN; ION EXCHANGE; MICROPOROSITY; MICROPOROUS MATERIALS; PHYSISORPTION; PROBABILITY DENSITY FUNCTION;

GAS ADSORPTION;

EID: 57649225578     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3037211     Document Type: Article

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