First-principles study of hydrogen storage on Ti-decorated B 2C sheet

Journal of Solid State Chemistry

Volumn 190, Issue , 2012, Pages 126-129

  Guo, Y H ^a   Xu, B ^a   Xia, Y D ^a   Yin, J ^a   Liu, Z G ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

Adsorption energy; B 2C sheet; Binding mechanism; Hydrogen storage

Indexed keywords

ADSORPTION ENERGIES; BINDING MECHANISMS; C-SYSTEMS; FIRST-PRINCIPLES STUDY; HYDROGEN MOLECULE; HYDROGEN STORAGE CAPACITIES; PLANE WAVE; STORAGE CAPACITY; TI ATOMS;

ADSORPTION; CALCULATIONS; HYDROGEN;

HYDROGEN STORAGE;

EID: 84862796935     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2012.02.032     Document Type: Article

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