Comparative theoretical study of iron and magnesium incorporated porphyrin induced carbon nanotubes and their interaction with hydrogen molecule

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 44, Issue 9, 2012, Pages 1857-1861

  Khan, Mohd Shahid ^a   Khan, Md Shahzad ^a  

^a JAMIA MILLIA ISLAMIA CENTRAL UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; DIVACANCIES; FORMATION ENERGIES; HYDROGEN MOLECULE; METAL ATOMS; STRONG BINDING; THEORETICAL STUDY;

BINDING ENERGY; CARBON NANOTUBES; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; HYDROGEN; PORPHYRINS;

MAGNESIUM;

EID: 84863336643     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2012.05.010     Document Type: Article

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