Ab initio study of hydrogen chemisorption in nitrogen-doped carbon nanotubes
Author:
Affiliation:
1. Departamento de Ciencias Básicas
2. Universidad de Medellín
3. Medellín
4. Colombia
5. Centro de Investigación en Ciencias-IICBA
6. Universidad Autónoma del Estado de Morelos
7. CP 62209 Cuernavaca
8. Mexico
Abstract
The electronic structure of single walled nitrogen-doped carbon nanotubes is calculated by first principles using density functional theory within the supercell approach with periodic boundary conditions.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP04531F
Reference34 articles.
1. S. Bellucci and A.Malesevic, Physics of Carbon Nanostructures, Springer, 2011
2. Carbon Nanotubes: Present and Future Commercial Applications
3. Electronic Properties of Semiconductor Nanowires
4. Nitrogen-Doped Carbon Nanotube Arrays with High Electrocatalytic Activity for Oxygen Reduction
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