Tunable SnO2 Nanoribbon by Electric Fields and Hydrogen Passivation
作者： Xin-Lian Chen , Bao-Jun Huang , Chang-Wen Zhang , Ping Li , Pei-Ji Wang
DOI: 10.1155/2017/4815251
关键词:
摘要: Under external transverse electronic fields and hydrogen passivation, the structure band gap of tin dioxide nanoribbons (SnO2NRs) with both zigzag armchair shaped edges are studied by using first-principles projector augmented wave (PAW) potential density function theory (DFT) framework. The results showed that structures edge SnO2NRs exhibit an indirect semiconducting nature gaps demonstrate a remarkable reduction increase field intensity, which giant Stark effect. value critical electric for bare Z-SnO2NRs is smaller than A-SnO2NRs. In addition, different passivation (Z-SnO2NRs-2H A-SnO2NRs-OH) show slightly weaker A-SnO2NRs-OH obviously enhanced while Z-SnO2NRs-2H reduce. Interestingly, Z-SnO2NRs-OH presented convert metal-semiconductor-metal under fields. end, transport properties studied. These findings provide useful ways in nanomaterial design engineering spintronics.
hindawi.com
core.ac.uk参考文章(47)
Wei Chen, Yafei Li, Guangtao Yu, Chen-Zhong Li, Shengbai B. Zhang, Zhen Zhou, Zhongfang Chen, Hydrogenation: a simple approach to realize semiconductor-half-metal-metal transition in boron nitride nanoribbons. Journal of the American Chemical Society. ,vol. 132, pp. 1699- 1705 ,(2010) , 10.1021/JA908475V
Rui-Shuo Zhang, Yong Liu, Qian Gao, Fan Teng, Chen-Lu Song, Wei Wang, Gao-Rong Han, First-principles study on the electronic and optical properties of F- and Nb-doped anatase TiO2 Journal of Alloys and Compounds. ,vol. 509, pp. 9178- 9182 ,(2011) , 10.1016/J.JALLCOM.2011.06.105
Fawei Zheng, Zhirong Liu, Jian Wu, Wenhui Duan, Bing-Lin Gu, Scaling law of the giant Stark effect in boron nitride nanoribbons and nanotubes Physical Review B. ,vol. 78, pp. 085423- ,(2008) , 10.1103/PHYSREVB.78.085423
Gul Rahman, Víctor M. García-Suárez, J.M. Morbec, Intrinsic magnetism in nanosheets of SnO2: A first-principles study Journal of Magnetism and Magnetic Materials. ,vol. 328, pp. 104- 108 ,(2013) , 10.1016/J.JMMM.2012.10.017
Kostya S Novoselov, Andre K Geim, Sergei V Morozov, De-eng Jiang, Yanshui Zhang, Sergey V Dubonos, Irina V Grigorieva, Alexandr A Firsov, Electric Field Effect in Atomically Thin Carbon Films Science. ,vol. 306, pp. 666- 669 ,(2004) , 10.1126/SCIENCE.1102896
Henry J. Snaith, Caterina Ducati, SnO2-Based Dye-Sensitized Hybrid Solar Cells Exhibiting Near Unity Absorbed Photon-to-Electron Conversion Efficiency Nano Letters. ,vol. 10, pp. 1259- 1265 ,(2010) , 10.1021/NL903809R
Hiroyuki Fueno, Yoshikazu Kobayashi, Kazuyoshi Tanaka, Theoretical study of current-voltage characteristics of carbon nanotube wire functionalized with hydrogen atoms Science China-chemistry. ,vol. 55, pp. 796- 801 ,(2012) , 10.1007/S11426-012-4499-8
Er-Jun Kan, H. J. Xiang, Jinlong Yang, J. G. Hou, Electronic structure of atomic Ti chains on semiconducting graphene nanoribbons: a first-principles study. Journal of Chemical Physics. ,vol. 127, pp. 164706- 164706 ,(2007) , 10.1063/1.2789424
S. Tamura, T. Ishida, H. Magara, T. Mihara, O. Tabata, T. Tatsuta, Transparent conductive tin oxide films by photochemical vapour deposition Thin Solid Films. pp. 142- 144 ,(1999) , 10.1016/S0040-6090(98)01648-4
M. Modarresi, Alireza Kakoee, Y. Mogulkoc, M.R. Roknabadi, Effect of external strain on electronic structure of stanene Computational Materials Science. ,vol. 101, pp. 164- 167 ,(2015) , 10.1016/J.COMMATSCI.2015.01.039