Effects of Al Doping and Double-Antisite Defect on the Adsorption of HCN on a BC2N Nanotube: Density Functional Theory Studies
Author:
Affiliation:
1. Department of Physical Chemistry, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran
2. Physics Group, Science Department, Islamic Azad University, Islamshahr Branch, P.O. Box 33135-369, Islamshahr, Tehran, Iran
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/jp312503h
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