Theoretical studies of chemical functionalization of the (8,0) boron nitride nanotube with various metalloporphyrin MP (M = Fe, Co, Ni, Cu, and Zn) complexes

Materials Chemistry and Physics

Volumn 116, Issue 1, 2009, Pages 21-27

  Zhao, Jing xiang ^a,b   Ding, Yi hong ^a  

^a JILIN UNIVERSITY   (China)

^b HARBIN NORMAL UNIVERSITY   (China)

Author keywords

Adsorption; Composite materials; Electronic structures; Semiconductor

Indexed keywords

APPLICATION AREAS; BORON NITRIDE NANOTUBES; CHEMICAL FUNCTIONALIZATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC AND MAGNETIC PROPERTIES; FUNCTIONALIZATION; INTERMEDIATE SPINS; METALLOPORPHYRIN; METALLOPORPHYRIN COMPLEXES; SEMICONDUCTOR; STABLE STATE; THEORETICAL STUDIES;

ADSORPTION; ATOMS; BINDING ENERGY; BINDING SITES; BORON; BORON NITRIDE; CARBON NANOTUBES; COMPOSITE MATERIALS; COMPOSITE MICROMECHANICS; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MAGNETIC PROPERTIES; METAL COMPLEXES; NITRIDES; PORPHYRINS; SEMICONDUCTOR MATERIALS; SODIUM COMPOUNDS; SPIN DYNAMICS; ZINC;

COBALT COMPOUNDS;

EID: 67349127642     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2009.02.014     Document Type: Article

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