Calcium-decorated, hydroxylated single-walled carbon nanotubes for hydrogen storage: A first-principles study

ChemPhysChem

Volumn 12, Issue 4, 2011, Pages 777-780

  Nguyen, Manh Cuong ^a   Cha, Moon Hyun ^a   Bae, Jaehyun ^a   Kim, Youngkuk ^a   Kim, Minsung ^a   Ihm, Jisoon ^a  

^a Seoul National University   (South Korea)

Author keywords

ab initio calculations; calcium; hydrogen storage; hydroxylation; nanotubes

Indexed keywords

ATOMS; BINDING ENERGY; CALCIUM; CALCULATIONS; HYDROGEN STORAGE; HYDROXYLATION; NANOTUBES;

AB INITIO CALCULATIONS; BULK COHESIVE ENERGIES; CLUSTER FORMATIONS; FIRST-PRINCIPLES STUDY; H2 MOLECULE; HIGH CAPACITY; HYDROXYL GROUPS;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 79952467670     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201000790     Document Type: Article

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