Authors
Abstract
In this paper size effects, growth orientation and also doping by Ammonia molecule (NH3) on the carbon nanowire properties with saturated diamond structure by (DNw:H) have been investigated. This study was carried out using DFT theory and Kohn-Sham equation by self-consistent field (SCF) that performed by local density approximation (LDA). The nanowires morphology is cylindrical with [111] growth orientation and their lateral surface was saturated by hydrogen atoms. The results show that band gap of these nanowires is smaller to bulk diamond due to high surface to volume ratio and formation surface level. The results of ammonia molecule doping with carbon surface atoms at saturated diamond nanowire in [100] orientation lead to decrease in band gap until nanowire converted into a n-type semiconductor.
Keywords
[2] Appell, D; "Nanotechnology" wired for success Nature, 2002.
[3] Drexler, K. Eric; “Nanosystems: molecular machinery, manufacturing, and computation”, John Wiley & Sons, Inc, 1992.
[4] Mikolajick, Thomas, et al; “Silicon nanowires a versatile technology platform”, physica status solidi (RRL)-Rapid Research Letters, 2013.
[5] Ijima, S; "Helical microtubules of graphitic carbon"; Nature; 1991
[6] Shiomi, H; "Reactive ion etching of diamond in O2 and CF4 plasma, and fabrication of porous diamond for field emitter cathodes"; Japan. J. Appl. Phys. 1997.
[7] Hirsch, A; "The era of carbon allotropes" Nature Mater. 2010
[8] Hsu, Chih-Hsun, et al; “Synthesis of diamond nanowires using atmospheric-pressure chemical vapor deposition”, Nano letters, 2010.
[9] Koizumi, S.; Watanabe, K.; Hasegawa, F.; Kanda, H. Science 2001.
[10] Shenderova O. A; V. V. Zhirnov; and D. W. Brenner “Carbon nanostructures” Critical Reviews in Solid State and Material Sciences, 131, 2002.
[11] Yu, Yuan; Liangzhuan Wu; and Jinfang Zhi. “Diamond nanowires: fabrication, structure, properties, and applications.” Angewandte Chemie International Edition, 27, 2014.
[12] Barnard A. S; S. P. Russo; and I. K. Snook “Electronic band gaps of diamond nanowires” Physical Review B, The American physical society, 6, 2003.
[13] N. W. Ashcroft and N. D. Mermin; Solid state Physics, Philadelphia, Saunders college, 1976.
[14] W. Kohn and L. J. Sham; Phys. Rev., 140, A1133, 1965.
[15] Barnard, A. S., S. P. Russo, and I. K. Snook; “Surface structure of cubic diamond nanowires”, Surface science, 2003.
)