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Computational Materials Science

Volumn 54, Issue 1, 2012, Pages 115-118

Theoretical study of hydrogen adsorption on the B 12P 12 fullerene-like nanocluster

(4) Beheshtian, Javad a Kamfiroozi, Mohammad b Bagheri, Zargham c Ahmadi, Ali c

a SHAHID RAJAEE TEACHER TRAINING UNIVERSITY (Iran)

b ISLAMIC AZAD UNIVERSITY (Iran)

c ISLAMIC AZAD UNIVERSITY (Iran)

Author keywords

Adsorption; B3LYP; B 12P 12 cluster; Density functional theory; Hydrogen

Indexed keywords

ADSORPTION ENERGIES; B ATOMS; B3LYP; BORON NITRIDE NANOTUBES; H ADSORPTION; HYDROGEN ADSORPTION; HYDROGEN ATOMS; INITIAL VALUES; THEORETICAL STUDY;

ADSORPTION; ATOMS; BORON; DENSITY FUNCTIONAL THEORY; FREE ENERGY; GIBBS FREE ENERGY; HYDROGEN; NANOCLUSTERS; NANOTUBES; NITRIDES;

GAS ADSORPTION;

EID: 83155178550 PISSN: 09270256 EISSN: None Source Type: Journal
DOI: 10.1016/j.commatsci.2011.09.039 Document Type: Article

Times cited : (109)

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