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Electron transport properties of (4,4) single wall carbon nanotube as well as the nanotube with oxygen molecule absorption, are investigated by using first principles analysis. The results show that electron current through the nanotube with oxygen molecule absorption system increases linearly under low bias ranging from 0 to 1.1 V, while the bias is larger than 1.1 V, the current through this system increases slowly. It is also shown that absorbed oxygen molecule brings two kinds of influence on the properties of electron transport: first, the oxygen molecular absorbed states afford new channels to electron transport and enhance the transmission. Second, the oxygen molecular absorbed states spoil the nanotube’s symmetry and enhance the electron scattering, so reduce the transmission.
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Keywords:
- single wall carbon nanotube /
- oxygen molecular absorption /
- electron transport /
- non-equilibrium Greens functions
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[4] Ouyang M, Huang J L, Cheung C L, Lieber C M 2001 Science 291 97
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[8] Kong J, Franklin N R, Zhou C, Chapline M G, Peng S, Cho K, Dai H 2000 Science 287 622
[9] Zhang LJ, Hu H F, Wang Z Y, Wei Y, Jia J F 2010 Acta Phys. Sin. 59 527(in Chinese)[张丽娟、胡慧芳、王志勇、魏 燕、贾金凤 2010 59 527]
[10] Tang X P, Kleinhammes A, Shimoda H, Fleming L, Bennoune K Y, Sinha S, Bower C, Zhou O, Wu Y 2000 Science 288 492
[11] Li Z, Wang C Y 2006 Chem. Phys. 330 417
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[13] Liang J W, Hu H F, Wei J W,Peng P 2005 Acta Phys. Sin. 54 2877 (in Chinese)[梁君武、胡慧芳、韦建卫、彭 平 2005 54 2877]
[14] Zang Y F, Li Y, Jia G X, Li J J 2005 Acta Chim. Sin. 63 581 (in Chinese)[章永凡、李 奕、贾桂霄、李俊篯 2005 化学学报 63 581]
[15] Chen G D, Wang L D, An B, Yang M, Cao D C, Liu G Q 2009 Acta Phys. Sin. 58 1190 (in Chinese)[陈国栋、王六定、安 博、杨 敏、曹得财、刘光清 2009 58 1190]
[16] Wang Y J, Wang L D, Yang M, Liu G Q,Yan C 2010 Acta Phys. Sin. 59 4950 (in Chinese) [王益军、王六定、杨 敏、刘光清、严 诚 2010 59 4950]
[17] Pati R, Zhang Y, Nayak S K, Ajayan P M 2002 Appl. Phys. Lett. 81 2638
[18] Roland C, Meunier V, Larade B, Guo H 2002 Phys. Rev. B 66 035332
[19] Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge:Cambridge University Press) p20
[20] Perder J P, Zunger A 1981 Phys. Rev. B 23 5048
[21] Taylor J, Guo H, Wang J 2001 Phys. Rev. B 63 245407
[22] Brandbyge M, Mozos J L, Ordejón P, Taylor1 J, Stokbro1 K 2002 Phys. Rev. B 65 165401
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[1] Kroto H W, Heath J R, OBrien S C, Curl R F, Smalley R E 1985 Nature 318 162
[2] Iijima S 1991 Nature 354 56
[3] Huffman D R 1991 Phys. Today 44 22
[4] Ouyang M, Huang J L, Cheung C L, Lieber C M 2001 Science 291 97
[5] Liang W J, Bockrath M, Bozovic D, Hafner J H, Tinkham M, Park H 2001 Nature 411 665
[6] Tans S J, Verschueren R M A, Ekke C D 1998 Nature 393 49
[7] Martel R, Schmidt T, Shea H R, Hertel T, Avouris P 1998 Appl. Phys. Lett. 73 2447
[8] Kong J, Franklin N R, Zhou C, Chapline M G, Peng S, Cho K, Dai H 2000 Science 287 622
[9] Zhang LJ, Hu H F, Wang Z Y, Wei Y, Jia J F 2010 Acta Phys. Sin. 59 527(in Chinese)[张丽娟、胡慧芳、王志勇、魏 燕、贾金凤 2010 59 527]
[10] Tang X P, Kleinhammes A, Shimoda H, Fleming L, Bennoune K Y, Sinha S, Bower C, Zhou O, Wu Y 2000 Science 288 492
[11] Li Z, Wang C Y 2006 Chem. Phys. 330 417
[12] Jhi S H, Louie S G, Cohen M L 2000 Phys. Rev. Lett. 85 1710
[13] Liang J W, Hu H F, Wei J W,Peng P 2005 Acta Phys. Sin. 54 2877 (in Chinese)[梁君武、胡慧芳、韦建卫、彭 平 2005 54 2877]
[14] Zang Y F, Li Y, Jia G X, Li J J 2005 Acta Chim. Sin. 63 581 (in Chinese)[章永凡、李 奕、贾桂霄、李俊篯 2005 化学学报 63 581]
[15] Chen G D, Wang L D, An B, Yang M, Cao D C, Liu G Q 2009 Acta Phys. Sin. 58 1190 (in Chinese)[陈国栋、王六定、安 博、杨 敏、曹得财、刘光清 2009 58 1190]
[16] Wang Y J, Wang L D, Yang M, Liu G Q,Yan C 2010 Acta Phys. Sin. 59 4950 (in Chinese) [王益军、王六定、杨 敏、刘光清、严 诚 2010 59 4950]
[17] Pati R, Zhang Y, Nayak S K, Ajayan P M 2002 Appl. Phys. Lett. 81 2638
[18] Roland C, Meunier V, Larade B, Guo H 2002 Phys. Rev. B 66 035332
[19] Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge:Cambridge University Press) p20
[20] Perder J P, Zunger A 1981 Phys. Rev. B 23 5048
[21] Taylor J, Guo H, Wang J 2001 Phys. Rev. B 63 245407
[22] Brandbyge M, Mozos J L, Ordejón P, Taylor1 J, Stokbro1 K 2002 Phys. Rev. B 65 165401
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