Theoretical study on adsorption and dissociation of NO 2 molecules on BNNT surface

Applied Surface Science

Volumn 283, Issue , 2013, Pages 881-887

  Singla, Preeti ^a   Singhal, Sonal ^a   Goel, Neetu ^a  

^a PANJAB UNIVERSITY   (India)

Author keywords

Adsorption; BNNT; Density functional theory (DFT)

Indexed keywords

ADSORPTION; CHARGE TRANSFER; CHEMICAL BONDS; DISSOCIATION; ENERGY GAP; III-V SEMICONDUCTORS; MOLECULES; NITROGEN OXIDES; YARN;

BNNT; CATALYTIC SURFACES; DENSITY OF STATE; FRONTIER ORBITALS; INTERACTION MODES; NATURAL BOND ORBITAL ANALYSIS; SINGLE-WALLED BORON NITRIDE NANOTUBES; THEORETICAL STUDY;

DENSITY FUNCTIONAL THEORY;

EID: 84883162721     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2013.07.038     Document Type: Article

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