Chemical functionalization of Single-Walled Carbon Nanotubes (SWNTs) by aryl groups: A density functional theory study

Journal of Physical Chemistry C

Volumn 112, Issue 34, 2008, Pages 13141-13149

  Zhao, Jing Xiang ^a,b   Ding, Yi Hong ^a  

^a JILIN UNIVERSITY   (China)

^b HARBIN NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; DENSITY FUNCTIONAL THEORY; NANOCOMPOSITES; NANOPORES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOTECHNOLOGY; NANOTUBES; PROBABILITY DENSITY FUNCTION; SINGLE-WALLED CARBON NANOTUBES (SWCN); STEREOCHEMISTRY; TUBES (COMPONENTS);

A-DENSITY; ADSORPTION ENERGIES; ARYL GROUPS; BAND GAPS; CHEMICAL FUNCTIONALIZATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; FUNCTIONALIZATION; FUNCTIONALIZED; METALLIC TUBES; SEMI CONDUCTING TUBES; SINGLE-WALLED CARBON NANOTUBES; TUBE DIAMETERS;

CARBON NANOTUBES;

EID: 51849086398     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp8030607     Document Type: Article

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