A comparative study on carbon, boron-nitride, boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energies

Journal of Molecular Modeling

Volumn 19, Issue 6, 2013, Pages 2375-2382

  Esrafili, Mehdi D ^a   Behzadi, Hadi ^b  

^a UNIVERSITY OF MARAGHEH   (Iran)

^b KHARAZMI UNIVERSITY   (Iran)

Author keywords

Average local ionization energies; Boron nitride nanotube; Carbon nanotube; DFT; Electrostatic potential

Indexed keywords

BORON; BORON NITRIDE NANOTUBE; BORON PHOSPHIDE; CARBON NANOTUBE; SILICON; SILICON CARBIDE; SINGLE WALLED NANOTUBE; UNCLASSIFIED DRUG; WATER;

ARTICLE; CHEMICAL STRUCTURE; COMPARATIVE STUDY; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ENERGY; IONIZATION; PRIORITY JOURNAL; SOLUBILITY; STATIC ELECTRICITY; SURFACE PROPERTY;

EID: 84878766583     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1787-y     Document Type: Article

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