First-principles study of transition-metal atoms adsorption on GaN nanotube

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 43, Issue 1, 2010, Pages 22-27

  Chen, Guo Xiang ^a,b   Zhang, Yan ^c   Wang, Dou Dou ^d   Zhang, Jian Min ^a  

^a SHAANXI NORMAL UNIVERSITY   (China)

^b XI'AN SHIYOU UNIVERSITY   (China)

^c UNIVERSITÉ PARIS SUD   (France)

^d AIR FORCE ENGINEERING UNIVERSITY   (China)

Author keywords

Adsorption; Density functional theory; GaN nanotubes; Transition metal atoms

Indexed keywords

ADSORPTION BEHAVIOR; ADSORPTION PROCESS; BAND GAPS; D ELECTRONS; DENSITY FUNCTIONALS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GALLIUM NITRIDE NANOTUBES; GAN NANOTUBES; HALF METALS; HEXAGON RINGS; HOLLOW SITES; IMPURITY STATE; NITROGEN ATOM; STABLE ADSORPTION; TRANSITION METAL ATOMS; ZN ATOMS;

ADSORPTION; BINDING ENERGY; CHROMIUM; COPPER; DENSITY FUNCTIONAL THEORY; GALLIUM ALLOYS; GALLIUM NITRIDE; MAGNETIC MOMENTS; MANGANESE; METALS; NANOTUBES; NUCLEAR ENERGY; PALLADIUM; PLATINUM; POTENTIAL ENERGY; SCANDIUM; TITANIUM NITRIDE; ZINC;

ATOMS;

EID: 78649978331     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2010.06.039     Document Type: Article

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