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Cover Image, Volume 35, Issue 14
Publication year - 2014
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23624
Subject(s) - cover (algebra) , zigzag , boron nitride , adsorption , oxygen , nanotechnology , volume (thermodynamics) , carbon nanotube , citation , image (mathematics) , materials science , chemistry , physics , computer science , thermodynamics , mathematics , library science , artificial intelligence , quantum mechanics , mechanical engineering , engineering , geometry
Calculations predict very strong oxygen adsorption on hybrid carbon and boron‐nitride nanotubes, as compared to pristine materials. In addition, oxygen binding increases the conductivity of the hybrid nanotubes, suggesting the potential to use these materials in sensor applications. On page 1058 (DOI: 10.1002/jcc.23589 ), Haining Liu and C. Heath Turner use first‐principles density functional theory to predict oxygen adsorption on two types of hybrid carbon and boron‐nitride nanotubes: zigzag (8,0), and armchair (6,6).