Field emission properties of capped carbon nanotubes doped by alkali metals:a theoretical investigation

doi:10.1088/1674-1056/21/5/057901

Abstract The electronic structures and field emission properties of capped CNT55 systems with or without alkali metal atom adsorption were systematically investigated by density functional theory calculation. The results indicate that the adsorption of alkali metal on the center site of a CNT tip is energetically favorable. In addition, the adsorption energies increase with the introduction of the electric field. The excessive negative charges on CNT tips make electron emittance much easier and result in a decrease in work function. Furthermore, the inducing effect by positively charged alkali metal atoms can be reasonably considered as the dominant reason for the improvement in field emission properties.

Keywords: field emission density functional theory carbon nanotube alkali metal

Received: 14 November 2011
Revised: 27 April 2012
Accepted manuscript online:

PACS:	79.70.+q	(Field emission, ionization, evaporation, and desorption)
	31.15.es	(Applications of density-functional theory (e.g., to electronic structure and stability; defect formation; dielectric properties, susceptibilities; viscoelastic coefficients; Rydberg transition frequencies))
	61.48.De	(Structure of carbon nanotubes, boron nanotubes, and other related systems)
	71.20.Dg	(Alkali and alkaline earth metals)

Fund: Project supported by the Key Program of the National Natural Science Foundation of China (Grant Nos. 21031001 and U1034003), the National Natural Science Foundation of China (Grant Nos. 20971040 and 21173072), and the Cultivation Fund of the Key Scientific and Technical Innovation Project, Ministry of Education of China (Grant No. 708029)

Cite this article:

Jin Lei(靳磊), Fu Hong-Gang(付宏刚), Xie Ying(谢颖), and Yu Hai-Tao(于海涛) Field emission properties of capped carbon nanotubes doped by alkali metals:a theoretical investigation 2012 Chin. Phys. B 21 057901

[1]	Gotoh Y, Kawamura Y, Niiya T and Ishibashi T 2007 Appl. Phys. Lett. 90 203107
[2]	Khazaei M, Farajian A A and Kawazoe Y 2005 Phys. Rev. Lett. 95 177602
[3]	Teo K B K, Chhowalla M, Amaratunga G A J, Milne W I, Pirio G, Legagneux P, Wyczisk F, Pribat D and Hasko D G 2002 Appl. Phys. Lett. 80 2011
[4]	Jung H, Quy N V, Hoa N D and Kim D 2010 J. Electrochem. Soc. 157 J371
[5]	Wang X Q, Wang M, He P M and Xu Y B 2004 J. Appl. Phys. 96 6752
[6]	Jonge N D, Allioux M and Doytcheva M 2004 Appl. Phys. Lett. 85 1607
[7]	Han S and Ihm J 2002 Phys. Rev. B 66 241402(R)
[8]	Kim C, Kim B, Lee S M, Jo C and Lee Y H 2002 Phys. Rev. B 65 165418
[9]	Wang Y J, Wang L D, Yang M, Liu G Q and Yan C 2010 Acta Phys. Sin. 59 4950 (in Chinese)
[10]	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)
[11]	Fujii S, Honda S I, Kawai H, Ishida K, Oura K and Katayama M 2008 Diamond Relat. Mater. 17 556
[12]	Wang Y J, Wang L D, Yang M, Yan C, Wang X D, Xi C P and Li Z N 2011 Acta Phys. Sin. 60 077303 (in Chinese)
[13]	Ha B and Lee C J 2007 Appl. Phys. Lett. 90 023108
[14]	Kim C, Choi Y S, Lee S M, Park J T, Kim B and Lee Y H 2002 J. Am. Chem. Soc. 124 9906
[15]	Durgun E, Dag S, V. Bagci M K G黮seren O, Yildirim T and Ciraci S 2003 Phys. Rev. B 67 201401
[16]	Zhao G P, Zhang Q, Zhang H, Qin L C and Tang J 2006 Appl. Phys. Lett. 89 263113
[17]	Zhou G, Duan W H and Gu B L 2004 J. Chem. Phys. 121 12600
[18]	Mpourmpakis G, Froudakis G E, Andriotis A N and Menon M 2007 J. Phys. Chem. C 111 6593
[19]	Delley B 1990 J. Chem. Phys. 92 508
[20]	Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[21]	Balasubramanian K, Sordan R, Burghard M and Kern K 2004 Nano lett. 4 827
[22]	Suzuki S, Watanabe Y, Homma Y Fukuba S Y, Heun S and Locatelli A 2004 Appl. Phys. Lett. 85 127
[23]	Mpourmpakis G and Froudakis G 2006 J. Chem. Phys. 125 204707
[24]	Dean K A, Burgin T P and Chalamala B R 2001 Appl. Phys. Lett. 79 1873
[25]	Qiao L, Zheng W T, Wen Q B and Jiang Q 2007 Nanotechnology 18 155707
[26]	Sorescu D C, Jordan K D and Avouris P 2001 J. Phys. Chem. B 105 11227
[27]	Duan X F, Akdim B and Pachter R 2005 Appl. Surf. Sci. 243 11

[1]	Predicting novel atomic structure of the lowest-energy Fe_nP_13-n(n=0-13) clusters: A new parameter for characterizing chemical stability Yuanqi Jiang(蒋元祺), Ping Peng(彭平). Chin. Phys. B, 2023, 32(4): 047102.
[2]	Abnormal magnetic behavior of prussian blue analogs modified with multi-walled carbon nanotubes Jia-Jun Mo(莫家俊), Pu-Yue Xia(夏溥越), Ji-Yu Shen(沈纪宇), Hai-Wen Chen(陈海文), Ze-Yi Lu(陆泽一), Shi-Yu Xu(徐诗语), Qing-Hang Zhang(张庆航), Yan-Fang Xia(夏艳芳), Min Liu(刘敏). Chin. Phys. B, 2023, 32(4): 047503.
[3]	Modeling of thermal conductivity for disordered carbon nanotube networks Hao Yin(殷浩), Zhiguo Liu(刘治国), and Juekuan Yang(杨决宽). Chin. Phys. B, 2023, 32(4): 044401.
[4]	Analytical determination of non-local parameter value to investigate the axial buckling of nanoshells affected by the passing nanofluids and their velocities considering various modified cylindrical shell theories Soheil Oveissi, Aazam Ghassemi, Mehdi Salehi, S.Ali Eftekhari, and Saeed Ziaei-Rad. Chin. Phys. B, 2023, 32(4): 046201.
[5]	A theoretical study of fragmentation dynamics of water dimer by proton impact Zhi-Ping Wang(王志萍), Xue-Fen Xu(许雪芬), Feng-Shou Zhang(张丰收), and Xu Wang(王旭). Chin. Phys. B, 2023, 32(3): 033401.
[6]	Plasmonic hybridization properties in polyenes octatetraene molecules based on theoretical computation Nan Gao(高楠), Guodong Zhu(朱国栋), Yingzhou Huang(黄映洲), and Yurui Fang(方蔚瑞). Chin. Phys. B, 2023, 32(3): 037102.
[7]	Ferroelectricity induced by the absorption of water molecules on double helix SnIP Dan Liu(刘聃), Ran Wei(魏冉), Lin Han(韩琳), Chen Zhu(朱琛), and Shuai Dong(董帅). Chin. Phys. B, 2023, 32(3): 037701.
[8]	Effects of π-conjugation-substitution on ESIPT process for oxazoline-substituted hydroxyfluorenes Di Wang(汪迪), Qiao Zhou(周悄), Qiang Wei(魏强), and Peng Song(宋朋). Chin. Phys. B, 2023, 32(2): 028201.
[9]	High-order harmonic generation of the cyclo[18]carbon molecule irradiated by circularly polarized laser pulse Shu-Shan Zhou(周书山), Yu-Jun Yang(杨玉军), Yang Yang(杨扬), Ming-Yue Suo(索明月), Dong-Yuan Li(李东垣), Yue Qiao(乔月), Hai-Ying Yuan(袁海颖), Wen-Di Lan(蓝文迪), and Mu-Hong Hu(胡木宏). Chin. Phys. B, 2023, 32(1): 013201.
[10]	First-principles study on β-GeS monolayer as high performance electrode material for alkali metal ion batteries Meiqian Wan(万美茜), Zhongyong Zhang(张忠勇), Shangquan Zhao(赵尚泉)^†, and Naigen Zhou(周耐根)^‡. Chin. Phys. B, 2022, 31(9): 096301.
[11]	First-principles study of a new BP₂ two-dimensional material Zhizheng Gu(顾志政), Shuang Yu(于爽), Zhirong Xu(徐知荣), Qi Wang(王琪), Tianxiang Duan(段天祥), Xinxin Wang(王鑫鑫), Shijie Liu(刘世杰), Hui Wang(王辉), and Hui Du(杜慧). Chin. Phys. B, 2022, 31(8): 086107.
[12]	Adaptive semi-empirical model for non-contact atomic force microscopy Xi Chen(陈曦), Jun-Kai Tong(童君开), and Zhi-Xin Hu(胡智鑫). Chin. Phys. B, 2022, 31(8): 088202.
[13]	SERS activity of carbon nanotubes modified by silver nanoparticles with different particle sizes Xiao-Lei Zhang(张晓蕾), Jie Zhang(张洁), Yuan Luo(罗元), and Jia Ran(冉佳). Chin. Phys. B, 2022, 31(7): 077401.
[14]	Collision site effect on the radiation dynamics of cytosine induced by proton Xu Wang(王旭), Zhi-Ping Wang(王志萍), Feng-Shou Zhang(张丰收), and Chao-Yi Qian (钱超义). Chin. Phys. B, 2022, 31(6): 063401.
[15]	First principles investigation on Li or Sn codoped hexagonal tungsten bronzes as the near-infrared shielding material Bo-Shen Zhou(周博深), Hao-Ran Gao(高浩然), Yu-Chen Liu(刘雨辰), Zi-Mu Li(李子木),Yang-Yang Huang(黄阳阳), Fu-Chun Liu(刘福春), and Xiao-Chun Wang(王晓春). Chin. Phys. B, 2022, 31(5): 057804.

No Suggested Reading articles found!

Viewed

Full text

Abstract

Cited

Metrics
Related Articles

Field emission properties of capped carbon nanotubes doped by alkali metals:a theoretical investigation

Cite this article:

Online attention