The electronic properties of different chiralities of defected boron nitride nanotubes: Theoretical study
作者： Mohammed Serhan , Majid Abusini , Emad Almahmoud , Rami Omari , Khaled Al-Khaza’leh
DOI: 10.1016/J.COCOM.2019.E00439
关键词:
摘要: … Our results reveal that the bonds angels for all boron nitride nanotubes vary appreciably around the Stone-Wales defects sites. This behavior attributed to the tube curvature, refer to Fig. …
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K. Shportko, T. Barlas, E. Venger, H. El-Nasser, V. Ponomarenko, Influence of the temperature on the dispersion of the surface polaritons in Zn 3 P 2 – Material for the photovoltaic applications Current Applied Physics. ,vol. 16, pp. 8- 11 ,(2016) , 10.1016/J.CAP.2015.10.001
Hossein Roohi, Mahjoubeh Jahantab, Melody Yakta, Effect of the Stone–Wales (SW) defect on the response of BNNT to axial tension and compression: a quantum chemical study Structural Chemistry. ,vol. 26, pp. 11- 22 ,(2015) , 10.1007/S11224-014-0466-7
Yafei Li, Zhen Zhou, Dmitri Golberg, Yoshio Bando, Paul von Ragué Schleyer, Zhongfang Chen, Stone-wales defects in single-walled boron nitride nanotubes: Formation energies, electronic structures, and reactivity Journal of Physical Chemistry C. ,vol. 112, pp. 1365- 1370 ,(2008) , 10.1021/JP077115A
J Song, H Jiang, J Wu, Y Huang, K-C Hwang, None, Stone-Wales transformation in boron nitride nanotubes Scripta Materialia. ,vol. 57, pp. 571- 574 ,(2007) , 10.1016/J.SCRIPTAMAT.2007.06.027
Wei Chen, Yafei Li, Guangtao Yu, Zhen Zhou, Zhongfang Chen, Electronic Structure and Reactivity of Boron Nitride Nanoribbons with Stone-Wales Defects Journal of Chemical Theory and Computation. ,vol. 5, pp. 3088- 3095 ,(2009) , 10.1021/CT900388X
R. Ansari, S. Rouhi, M. Mirnezhad, M. Aryayi, Stability characteristics of single-walled boron nitride nanotubes Archives of Civil and Mechanical Engineering. ,vol. 15, pp. 162- 170 ,(2015) , 10.1016/J.ACME.2014.01.008
Ya Kun Chen, Lei Vincent Liu, Yan Alexander Wang, None, Density Functional Study of Interaction of Atomic Pt with Pristine and Stone−Wales-Defective Single-Walled Boron Nitride Nanotubes Journal of Physical Chemistry C. ,vol. 114, pp. 12382- 12388 ,(2010) , 10.1021/JP9078508
Jing-Xang Zhao, Ying Tian, Bai-Qing Dai, A Theoretical Study on the Conductivity of Carbon Doped BNNT Journal of The Chinese Chemical Society. ,vol. 52, pp. 395- 398 ,(2005) , 10.1002/JCCS.200500059
Asadollah Boshra, Ahmad Seif, A boroxol ring doped zigzag boron nitride nanotube: a computational DFT study of the quadrupole coupling constant Canadian Journal of Physics. ,vol. 87, pp. 647- 652 ,(2009) , 10.1139/P09-040
Jian-Feng Jia, Hai-Shun Wu, Haijun Jiao, The structure and electronic property of BN nanotube Physica B-condensed Matter. ,vol. 381, pp. 90- 95 ,(2006) , 10.1016/J.PHYSB.2005.12.258