采用密度泛函理论研究了氧等离子体改性前后的(8,0)碳纳米管的性能,比较了改性前后结合能、能带结构及态密度之间的差异,结果表明改性后碳管的结合能变小,其表面的分散性提高,从而可以稳定存在.另外,尽管碳管的能隙Eg非常小,但其价带顶和导带底均未穿过费米能级,验证了(8,0)碳纳米管是半导体管的理论.改性后碳纳米管的几何结构受到羟基和羧基的影响很大,横截面C-C间距增大,比表面积增加；同时,羟基和羧基使得费米能Ef以及费米能级上的态密度明显增大,而且羧基的作用更显著,这表明氧等离子体增强了碳纳米管的化学活性,是一种有效的改性方法.
参考文献
| [1] | Lin Yuehe;Cui Xiaoli et al.Platinum/carbon nanotube nanocomposite synthesized in supercritical fluid as electrocatalysts for low-temperature fuel cells[J].Journal of Physical Chemistry B,2005,109(30):14410. |
| [2] | Mu Yongyan;Liang Hanpu;Hu Jinsong et al.Controllable Pt nanoparticle deposition on carbon nanotubes as an anode catalyst for direct methanol fuel cells[J].Journal of Physical Chemistry B,2005,109(47):22212. |
| [3] | Liu Zongjian;Xu Zhude;Yuan Zhonghong et al.Cyclohexanol dehydrogenation over Co/carbon nanotube catalysts and effect of promoter K on performahce[J].Catalysis Letters,2001,72(3-4):203. |
| [4] | Sainsbury T;Stolarczyk J;Fitzmaurice D .An experimental and theoretical study of the self-assembly of gold nanoparticles at the surface of functionalized multiwalled carbon nano tubes[J].Journal of Physical Chemistry B,2005,109(34):16310. |
| [5] | Chi Hieu Dam;Cuong Thanh Nguyen et al.Electronic structure of Pt clusters adsorbed on,(5,5) single wall carbon nanotube[J].Chemical Physics Letters,2006,432(1-3):213. |
| [6] | Fastow M;Kozirovski Y;Folman M et al.IR spectra of carbon monoxide and nitric oxide adsorbed on fullerene (C60)[J].Journal of Physical Chemistry,1992,96(15):6126. |
| [7] | Kong J;Franklin N R;Zhou C W et al.Nanotube molecular wires as chemical sensors[J].Science,2000,287(5453):622. |
| [8] | Peng Shu;Cho Kyeongjae;Qi Pengfei et al.Ab initio study of CNT NO2 gas sensor[J].Chemical Physics Letters,2004,387(4-6):271. |
| [9] | Sumanasekera GU.;Fang S.;Eklund PC.;Adu CKW. .Effects of gas adsorption and collisions on electrical transport in single-walled carbon nanotubes[J].Physical review letters,2000(5):1096-1099. |
| [10] | Jing Li;Yijiang Lu;Qi Ye;Martin Cinke;Jie Han;M. Meyyappan .Carbon Nanotube Sensors for Gas and Organic Vapor Detection[J].Nano letters,2003(7):929-933. |
| [11] | L. Valentini;I. Armentano;J. M. Kenny;C. Cantalini;L. Lozzi;S. Santucci .Sensors for sub-ppm NO_(2) gas detection based on carbon nanotube thin films[J].Applied physics letters,2003(6):961-963. |
| [12] | S. Chopra;A. Pham;J. Gaillard;A. Parker;A. M. Rao .Carbon-nanotube-based resonant-circuit sensor for ammonia[J].Applied physics letters,2002(24):4632-4634. |
| [13] | Wang, W.-H.;Huang, B.-C.;Wang, L.-S.;Ye, D.-Q. .Oxidative treatment of multi-wall carbon nanotubes with oxygen dielectric barrier discharge plasma[J].Surface & Coatings Technology,2011(21/22):4896-4901. |
| [14] | Delley B .An all-electron numerical method for solving the local density functional for polyatomic molecules[J].Journal of Chemical Physics,1990,92(01):508. |
| [15] | Milman V.;White JA.;Pickard CJ.;Payne MC.;Akhmatskaya EV. Nobes RH.;Winkler B. .Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study [Review][J].International Journal of Quantum Chemistry,2000(5):895-910. |
| [16] | Kumar MK;Ramaprabhu S .Nanostructured Pt functionlized multiwalled carbon nanotube based hydrogen sensor[J].The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical,2006(23):11291-11298. |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%