Improved H2 storage in zeolitic imidazolate frameworks using Li+, Na+, and K+ dopants, with an emphasis on delivery H2 uptake

Journal of Physical Chemistry C

Volumn 115, Issue 8, 2011, Pages 3507-3512

  Han, Sang Soo ^a   Choi, Seung Hoon ^b   Goddard, William A ^c,d  

^a Korea Research Institute of Standards and Science   (South Korea)

^b Insilicotech Company Limited   (South Korea)

^c CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^d Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

DOPANT EFFECTS; FIRST-PRINCIPLES; FORCE FIELDS; GRAND CANONICAL MONTE CARLO SIMULATION; IMIDAZOLATE; IN-VEHICLE; ROOM TEMPERATURE;

ADSORPTION; AUTOMOBILE EXHIBITIONS; COMPUTER SIMULATION; DOPING (ADDITIVES); HYDROGEN STORAGE; MONTE CARLO METHODS; NUCLEAR ENERGY; ORGANIC POLYMERS; POTENTIAL ENERGY; SODIUM;

BINDING ENERGY;

EID: 79952032691     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp200321y     Document Type: Article

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