A reasonable criterion of nitrogen-doped single-walled carbon nanotubes with pyridine-like configurations
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics
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1. Using ONIOM calculations to investigate the abilities of simple and nitrogen, boron, sulfur‐doped carbon nanotubes in sensing of carbon monoxide;International Journal of Quantum Chemistry;2020-03-14
2. Curvature and Size Effects on Reactivities of Mono-to Octa-vacancies in a (5,5) Single-walled Carbon Nanotube;CHINESE J STRUC CHEM;2017
3. [1+1] and [2+1] Additions on a (5,5) Single-Walled Carbon Nanotube with V1~V4 Vacancies Based on Defect Curvature: A First Principles Study;Acta Chimica Sinica;2017
4. Adsorption of N2, O2, CO, and CO2 on open ends and surface of single wall carbon nano-tubes: A computational nuclear magnetic resonance and nuclear quadrupole resonance study;Journal of Molecular Liquids;2016-10
5. Curvature effect of vacancies in single-walled carbon nanotubes;Surface Science;2015-03
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