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First‐principle simulations on silicon-doped armchair single‐walled carbon nanotubes of various diameters
Institution:1. Key Laboratory of Energy Sources and Chemical Engineering, State Key Laboratory Cultivation Base of Natural Gas Conversion, Ningxia University, Yinchuan, Ningxia 750021, China;2. School of Chemistry Science and Engineering, Ningxia University, Yinchuan, Ningxia 750021, China;1. Science Institute, University of Iceland, Dunhaga 3, IS-107 Reykjavik, Iceland;2. Department of Mechanical Engineering, National United University, 1, Lienda, Miaoli 36003, Taiwan;3. School of Science and Engineering, Reykjavik University, Menntavegur 1, IS-101 Reykjavik, Iceland;1. School of Energy Science and Engineering, Central South University, Changsha 410083, China;2. College of Information, GuangDong Ocean University, Zhanjiang 524088, China;1. Department of Physics, Urmia Branch, Islamic Azad University, Urmia, Iran;2. Department of Solid State Physics, Yerevan State University, Al. Manookian 1, 0025 Yerevan, Armenia;1. Departamento de Física, Universidad Nacional de Colombia, A. A. 5997 Bogotá, Colombia;2. Instituto de Física, Universidade Federal Fluminense (UFF). Avenida litorânea s/n, CEP: 24210-346 Niterói, Rio de Janeiro, Brazil;1. School of Electrical and Electronic Engineering, Newcastle University, UK;2. Electrical Engineering Technical College, Baghdad, Iraq;1. Department of Physics and Laboratory of Materials Physics, Zhengzhou University, Zhengzhou 450052, People?s Republic of China;2. Department of Physics and Solar Energy Research Center, Pingdingshan University, Pingdingshan 467000, People?s Republic of China;3. Department of Physics, Anyang Normal University, Anyang 455000, People?s Republic of China
Abstract:
Keywords:Doping and size effects  Nonlinear optical response  Carbon nanotubes  Frontier molecular orbital  Aromaticity
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