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利用第一性原理的计算方法, 研究了A-Z-A型GNR-FET的电子结构和输运性质及其分子吸附效应. 得到了以下结论: 纯净的A-Z-A型GNR-FET具有典型的双极型晶体管特性, 吸附分子的存在会使纳米带能隙变小. 对于吸附H, H2, H2O, N2, NO, NO2, O2, CO2和SO2分子的情况, A-Z-A型GNR-FET仍然保持着场效应晶体管的基本特征, 但吸附不同类型的分子会使GNR-FET的输运特性发生不同程度的改变; 对于吸附OH分子的情况, 输运特性发生了本质的改变, 完全不具有场效应晶体管的特性. 这些研究结果将有助于石墨烯气体探测器的工程实现, 并对应用于不同环境中GNR-FET的设计具有重要指导意义.By performing first-principles calculations, we demonstrate the electronic structure, the transport properties, and the adsorption effect of A-Z-A graphene nanoribons field effect transistor. It is concluded that the pure A-Z-A GNR-FET has typical bipolar characteristics, and energy gaps will become smaller due to the adsorbed molecule. For the adsorption of H, N2, NO2, H2O, SO2, O2 and NO, A-Z-A GNR-FET remains typical bipolar characteristic, but shows a little difference in transport property after it has adsorbed different types of molecles. For the adsorption of OH, transport property changes totally and does not have a bipolar characteristic any more. These results may contribute to the implementation of gas detector based on GNRs and the design of GNR-FET applied in complex environments.
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Keywords:
- graphene nanoribbons /
- graphene nanoribbons field effect transistor /
- molecule adsorption /
- electronic structure
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[1] Zhang Z X, Zhang G M, Du M, Jin X X, Hou S M, Sun J P, Gu Z N, Zhao X Y, Liu W M, Wu J L, Xue Z Q 2002 Chin. Phys. 11 804
[2] Cao J X, Yan X H, Xiao Y, Ding J W 2003 Chin. Phys. 12 1440
[3] Kong W J, Lu L, Zhang D L, Pan Z W 2006 Chin. Phys. 15 2090
[4] Yan, Q M, Huang, B, Yu J, Zheng F W, Zang J, Wu J, Gu B L, Liu F, Duan W H 2007 Nano Lett. 7 1469
[5] Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V, Firsov A A 2004 Science 306 666
[6] Novoselov K S, Geim A K, Morozov S V, Jiang D, Grigorieva I V, Dubonos S V, Firsov A A 2005 Nature 438 197
[7] Zhang Y, Tan Y W, Stormier H L, Kim P 2005 Nature 438 201
[8] Berger C, Song Z, Li X, Wu X, Brown N, Nafud C, Mayo D, Li T, Hass J, Marchenkov A N, Conrad E H, First P N, de Heer W A 2006 Science 312 1191
[9] Chen Z, Lin Y M, Rooks M J, Avouris P 2007 cond-mat/0701599.
[10] Han M Y, Oezyilmaz B, Zhang Y, Kim P 2007 cond-mat/070251
[11] Ouyang F P, Xu H, Wang H Y, Xiao J 2008 Acta Phys. Chim. Sin. 24 328(in Chinese) [欧阳方平, 徐 慧, 王焕友, 肖金 2008 物理化学学报 24 328]
[12] Ouyang F P, Xu H, Wang H Y, Wei C 2008 Acta Phys. Sin. 57 1073 (in Chinese) [欧阳方平, 徐慧, 王焕友, 魏辰 2008 57 1073]
[13] Pisana P, Lazzeri M, Casiraghi C, Novoselov K S, Geim A K, Ferrari A C, Mauri F 2007 Nature Mater. 6 198
[14] Das A, Pisana S, Chakraborty B, Piscanec S, Saha S K,Waghmare U V, Novoselov K S, Krishnamurthy H R, Geim A K, Ferrari A C, Sood A K 2008 Nat. Nanotechnol 3 210
[15] Schedin F, Geim A K, Morozov S V, Hill EW, Blake P, Katsnelson W I, Novoselov K S 2007 Nature Mater. 6 652
[16] Wehling T O, Novoselov K S, Morozov S V, Vdovin E E, Katsnelson M I, Geim A K, Lichtenstien A I 2008 Nano Lett. 8 173
[17] Zhou S Y, Siegel D A, Fedorov A V, Lanzara A 2008 Phys. Rev. Lett. 101 086402
[18] Berashevich J, Chakraborty T 2009 Phys. Rev. B 80 033404
[19] Ribeiro R M, Peres N M R, Coutinho J, Briddon P R 2008 Phys. Rev. B 78 075442
[20] Rosales L, Pacheco M, Barticevic Z, Latg’e A, Orellana P A 2009 Nanotechnology 5705
[21] Cabrera Sanfelix P, Holloway S, Kolasinski K E, Darling G R 2003 Surf. Sci. 532-535 166
[22] Shin H, Kim S M, Yoon S, Benayad A, Kim K K, Kim S J, Park H J, Choi J, Lee Y H 2008 J. Am. Chem. Soc. 130 2062
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