Open AccessThe effect of electric field on interaction of glycine with (6,0) single-walled boron nitride nanotube
Author(s) -
Davood Farmanzadeh,
Samereh Ghazanfary
Publication year - 2013
Publication title -
journal of the serbian chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.227
H-Index - 45
eISSN - 1820-7421
pISSN - 0352-5139
DOI - 10.2298/jsc120419046f
Subject(s) - zigzag , nanotube , boron nitride , electric field , glycine , materials science , molecule , nanotechnology , computational chemistry , chemical physics , chemistry , carbon nanotube , organic chemistry , physics , mathematics , quantum mechanics , geometry , biochemistry , amino acid
The interaction between glycine molecule with (6, 0) zigzag model of single-walled boron nitride nanotube (BNNT) with H-terminated at the open ended, has been investigated in the presence and absence of the external electric field (EF), using the DFT-B3LYP/6-31