Investigation of Oxidation in Boron-Containing Nanotubes
The paper presents results of research into atomic and molecular oxygen interaction with the external surfaces of boron–carbon (BC3, boron–nitride (BN) and boron nanotubes: arm-chair (n, n) and zig–zag (n, 0) type. The research was performed
using the MNDO method within the framework of an ionic-embedded covalent-cyclic cluster model. The optimal geometry of adsorption complexes were defined and their main electronic and energetic properties were described. Boron-carbon nanotubes have been proved to be the best oxygen adsorbents
compared to the other types of nanotubes under consideration.
Keywords: ADSORPTION; BORON TUBULE; BORON-CARBON NANOTUBE; BORON-CONTAINING NANOTUBE; BORON-NITRIDE NANOTUBE; OXIDATION; SEMI-EMPIRICAL METHODS
Document Type: Research Article
Publication date: 01 November 2012
- Nanoscience and Nanotechnology Letters (NNL) is a multidisciplinary peer-reviewed journal consolidating nanoscale research activities in all disciplines of science, engineering and medicine into a single and unique reference source. NNL provides the means for scientists, engineers, medical experts and technocrats to publish original short research articles as communications/letters of important new scientific and technological findings, encompassing the fundamental and applied research in all disciplines of the physical sciences, engineering and medicine.
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