-
The absorption behaviors of CO on the (8,0) semiconducting intrinsic and gold doped (Au-doped) single-walled carbon nanotubes (SWCNTs) are investigated by the density functional theory because superior sensitivity of carbon nanotube to many toxic gases becomes a field of growing interest. It is shown that CO molecules can be absorbed to Au atoms on the wall of Au-doped SWCNT with a bingding energy as high as 2.1eV,and can attract lager charge transfer 0.23. Compared with the intrinsic SWCNT, the Au-doped SWCNT presents a high sensitivity to CO in terms of the calculated geometrical structures and electronic properties, Furthermore, the calculated electron densities of two representative adsorption positions show that Au-doped SWCNT electron clouds overlap more on the top of carbon adsorbed CO. By comparison with the oxygen absorption on SWCNT, we infer that the molecular CO absorbed on Au-doped SWCNT can induce significant change in the conductivity of SWCNT. So Au-doped SWCNT is expected to be a potential candidate for detecting the presence of CO.
-
Keywords:
- carbon nanotube /
- CO /
- Au /
- doped
[1] Lijima S 1991 Nature. 354 56
[2] Kong J,Franklin N R, Zhou C W, Chapline M G, Peng S, Cho K J, Dai H J 2000 Science. 287 622
[3] [4] Collins P G, Bradley K, Ishigami M, Zettle A 2000 Science 287 1801
[5] [6] [7] Jhi S H, Louie S G, Cohen M L 2000 Phys. Rev. Lett. 85 1710
[8] Zhao J J, Buldam A, Han J, Lu J P 2002 Nanotechnology 13 195
[9] [10] [11] Wang R X, Zhang D J, Sun W Q, Han Z, Liu C B 2007 Journal of Molecular Structure: THEOCHEM 806 93
[12] [13] Peng S, Cho K 2003 Nano Lett. 3 513
[14] Zhang Y M, Zhang D J, Liu C B 2006 J. Phys. Chem. B 110 4671
[15] [16] Wu R Q, Yang M, Lu Y H, Feng Y P, Huang Z G, Wu Q Y 2008 J. Phys. Chem. C 112 15985
[17] [18] [19] Daniel M C, Astruc D 2004 Chem. Rev. 104 293
[20] [21] Tansil N C, Gao Z 2006 Nanotoday 1 28
[22] [23] Thaxton C S, Georganopoulou D G, Mirkin C A 2006 Clin. Chim. Acta 363 120
[24] Zhang Z L, Pang D W, Yuan H, Cai R X, Abruna H D 2005 Bioanal. Chem. 381 833
[25] [26] [27] Jiang L, Gao L 2003 Carbon 41 2923
[28] [29] Liu L, Wang T, Li J, Guo Z X, Dai L, Zhang D, Zhu D 2002 Chem. Phys. Lett. 367 747
[30] Ma X, Li X, Lun N, Wen S 2006 Mater. Chem.Phys. 97 351
[31] [32] Zhang Y, Franklin N W, Chen R J, Dai H 2000 Chem.Phys. Lett. 331 35
[33] [34] [35] Gao H, Zhu W H, Tang C M, Geng F F,Yao C D,Xu Y L,Deng K M 2010 Acta Phy. Sin. 59 1707 (in Chinese) [高 虹、朱卫华、唐春梅、耿芳芳、姚长达、徐云玲、邓开明 2010 物理学报 59 1707]
[36] [37] Cao L, Zhang W H,Cheng T X, Han Y Y, Xu F Q, Zhu J F, Yan W S, Xu Y, Wang F 2010 Acta Phy. Sin. 59 1681 (in Chinese) [曹 亮、张文华、陈铁锌、韩玉岩、徐法强、朱俊发、闫文盛、许 杨、王 峰 2010 物理学报 59 1681]
[38] [39] Zhao Q, Nardelli M B, Lu W, Bernholc J 2005 Nano. Lett. 5 847
-
[1] Lijima S 1991 Nature. 354 56
[2] Kong J,Franklin N R, Zhou C W, Chapline M G, Peng S, Cho K J, Dai H J 2000 Science. 287 622
[3] [4] Collins P G, Bradley K, Ishigami M, Zettle A 2000 Science 287 1801
[5] [6] [7] Jhi S H, Louie S G, Cohen M L 2000 Phys. Rev. Lett. 85 1710
[8] Zhao J J, Buldam A, Han J, Lu J P 2002 Nanotechnology 13 195
[9] [10] [11] Wang R X, Zhang D J, Sun W Q, Han Z, Liu C B 2007 Journal of Molecular Structure: THEOCHEM 806 93
[12] [13] Peng S, Cho K 2003 Nano Lett. 3 513
[14] Zhang Y M, Zhang D J, Liu C B 2006 J. Phys. Chem. B 110 4671
[15] [16] Wu R Q, Yang M, Lu Y H, Feng Y P, Huang Z G, Wu Q Y 2008 J. Phys. Chem. C 112 15985
[17] [18] [19] Daniel M C, Astruc D 2004 Chem. Rev. 104 293
[20] [21] Tansil N C, Gao Z 2006 Nanotoday 1 28
[22] [23] Thaxton C S, Georganopoulou D G, Mirkin C A 2006 Clin. Chim. Acta 363 120
[24] Zhang Z L, Pang D W, Yuan H, Cai R X, Abruna H D 2005 Bioanal. Chem. 381 833
[25] [26] [27] Jiang L, Gao L 2003 Carbon 41 2923
[28] [29] Liu L, Wang T, Li J, Guo Z X, Dai L, Zhang D, Zhu D 2002 Chem. Phys. Lett. 367 747
[30] Ma X, Li X, Lun N, Wen S 2006 Mater. Chem.Phys. 97 351
[31] [32] Zhang Y, Franklin N W, Chen R J, Dai H 2000 Chem.Phys. Lett. 331 35
[33] [34] [35] Gao H, Zhu W H, Tang C M, Geng F F,Yao C D,Xu Y L,Deng K M 2010 Acta Phy. Sin. 59 1707 (in Chinese) [高 虹、朱卫华、唐春梅、耿芳芳、姚长达、徐云玲、邓开明 2010 物理学报 59 1707]
[36] [37] Cao L, Zhang W H,Cheng T X, Han Y Y, Xu F Q, Zhu J F, Yan W S, Xu Y, Wang F 2010 Acta Phy. Sin. 59 1681 (in Chinese) [曹 亮、张文华、陈铁锌、韩玉岩、徐法强、朱俊发、闫文盛、许 杨、王 峰 2010 物理学报 59 1681]
[38] [39] Zhao Q, Nardelli M B, Lu W, Bernholc J 2005 Nano. Lett. 5 847
计量
- 文章访问数: 9399
- PDF下载量: 677
- 被引次数: 0
下载:
