Effects of B and N dopings and H2O adsorption on structural stability and field emission properties of cone-capped carbon nanotubes

doi:10.1088/1674-1056/20/11/117304

Abstract The effects of B and N dopings and H₂O adsorption on the structural stability and the field emission properties of cone-capped carbon nanotubes (CCCNTs) were investigated by using the density-functional theoretical calculation. The adsorption of H₂O can increase the structural stability and decrease the gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital (HOMO-LUMO gap) of the CCCNTs. The strength of total electric field on the top of the H₂O-adsorbed CCCNTs is larger than that of the B-doped and the N-doped CCCNTs, electrons will be emitted primarily from the H₂O-adsorbed CCCNTs at the same applied voltage. Therefore, the H₂O adsorption can lower the threshold voltage for the CCCNTs. While the B and the N dopings produce opposite effects. The HOMO-LUMO gap of the N-doped CCCNTs is the widest among all the gaps of the CCCNTs.

Keywords: carbon nanotubes nitrogen doping boron doping H₂O adsorption

Received: 22 June 2011
Revised: 08 August 2011
Accepted manuscript online:

PACS:	73.63.Fg	(Nanotubes)
	79.70.+q	(Field emission, ionization, evaporation, and desorption)
	31.15.ae	(Electronic structure and bonding characteristics)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 50771082, 60776822, and 11075135) and the Natural Science Foundation of Shaanxi Education Department, China (Grant No. 09JK807).

Cite this article:

Wang Yi-Jun(王益军), Wang Liu-Ding(王六定), Yang Min(杨敏), and Yan Cheng(严诚) Effects of B and N dopings and H₂O adsorption on structural stability and field emission properties of cone-capped carbon nanotubes 2011 Chin. Phys. B 20 117304

[1]	Meyyappan M 2005 Carbon Nanotubes: Science and Applications (California: CRC) p. 223
[2]	Peng J, Li Z B, He C S, Chen G H, Wang W L, Deng S Z, Xu N S, Zheng X, Chen G H, Chris J E and Richard G F 2008 J. Appl. Phys. 104 014310
[3]	Yu S S, Zheng W T, Wen Q B and Jiang Q 2008 Carbon 46 537
[4]	Chen G D, Wang L D, An B, Yang M, Cao D C and Liu G Q 2009 Acta Phys. Sin. 58 1190 (in Chinese)
[5]	Charlier J C 2002 Nano Lett. 2 1191
[6]	Terrones M, Jorio A, Endo M, Rao A M, Kim Y A, Hayashi T, Terrones H, Charlier J C, Dresselhaus G and Dresselhaus M S 2004 Materials Today 7 30
[7]	Wang Y J, Wang L D, Yang M, Liu G Q and Yan C 2010 Acta Phys. Sin. 59 4950 (in Chinese)
[8]	Wen Q B, Qiao L, Zheng W T, Zeng Y, Qu C Q, Yua S S and Jiang Q 2008 Physica E 40 890
[9]	Maiti A, Andzalm J and Tanpipat N 2001 Phys. Rev. Lett. 87 155502
[10]	Gao R P, Pan Z W and Wang Z L 2001 Appl. Phys. Lett. 78 1757
[11]	Tang D S, Ci L J, Zhou W Y and Xie S S 2006 Carbon 44 2155
[12]	Wei Y, Hu H F, Wang Z Y, Cheng C P, Chen N T and Xie N 2011 Acta Phys. Sin. 60 027307 (in Chinese)
[13]	Wang Y J, Wang L D, Yang M and Yan C 2011 Acta Phys. Sin. 60 077303 (in Chinese)
[14]	Delley B J 1990 Chem. Phys. 92 508
[15]	Heer W A D, Chatelain A and Ugarte D 1995 Science 270 1179
[16]	Zhang H, Chen X H, Zhang Z H, Qiu M, Xu L S and Yang Z 2006 Chin. Phys. Soc. 55 2986
[17]	Shen L, Wang L, Yang H F, Liu X J and Liu H P 2009 Chin. Phys. B 18 5277
[18]	Shtogun Y V and Woods L M 2009 Carbon 47 3252

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Effects of B and N dopings and H2O adsorption on structural stability and field emission properties of cone-capped carbon nanotubes

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Effects of B and N dopings and H₂O adsorption on structural stability and field emission properties of cone-capped carbon nanotubes