DFT studies on the interaction of an open-ended single-walled aluminum nitride nanotube (AlNNT) with gas molecules

Journal of Physical Chemistry C

Volumn 116, Issue 8, 2012, Pages 4957-4964

  Liu, Wen Guang ^a   Chen, Guang Hui ^a   Huang, Xiao Chun ^a   Wu, Di ^b   Yu, Yun Peng ^a  

^a SHANTOU UNIVERSITY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

[2 + 2] CYCLOADDITION; ADSORPTION ENERGIES; BAND GAPS; CYCLIC STRUCTURES; DFT STUDY; FIELD EMITTER; GAS MOLECULES; GEOMETRICAL STRUCTURE; HOMO-LUMO GAPS; OPEN EDGES; SINGLE-WALLED;

ADSORPTION; ALUMINUM NITRIDE; CHEMISORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MOLECULES; NANOTUBES;

ALUMINUM;

EID: 84863274309     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2124857     Document Type: Article

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