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By using the first-principles method and the density-functional theory, the electronic properties of graphene nanoribbons(GNRs) with periodic nanoholes passivated by oxygen are studied. It is shown that for the zigzag graphene nanoribbon (ZGNR) in nonmagnetic state(NM), the metallic properties not only still remain but also are obviously enhanced after the holes are punched. But for the antiferromagnetic-state (AFM) ZGNR, after punching holes, it would be changed from semiconductor to metal. While for the ferromagnetic-state (FM) ZGNR, it can be transformed from metal to semiconductor or semimetal after punching holes. Besides, for the punched armchair graphene nanoribbon (AGNR), its band gap will be significantly widened. The in-depth analysis shows that these results are due to the effects of oxygen atoms on electronic properties of GNRs, and also due to the different quantum confinement effects from the neck subprime nanoribbon (NSNR) and edge subprime nanoribbon (ESNR) with different width and edge shape(zigzag or armchair). These findings are important for developing nano electronic devices.
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Keywords:
- graphene nanoribbon /
- periodic nanoholes /
- inner-edge oxygen passivation /
- electronic properties
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[20] Zeng J, Chen K Q, Sun C Q 2012 Phys. Chem. Chem. Phys. 14 8032
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[22] Wang Y, Huang Y, Song Y, Zhang X, Ma Y, Liang J, Chen Y 2009 Nano Lett. 9 220
[23] Rojas F M, Rossier J F, Palacios J J 2009 Phys. Rev. Lett. 102 136810
[24] Son Y W, Cohen M L, Louie S G 2006 Nature 444 347
[25] Sepioni M, Nair R R, Rablen S, Narayanan J, Tuna F, Winpenny R, Geim A K, Grigorieva I V 2010 Phys. Rev. Lett. 105 207205
[26] Mermin N D, Wagner H 1966 Phys. Rev. Lett. 17 1133
[27] Areshkin D A, White C T 2007 Nano Lett. 7 3253
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[1] 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
[2] 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
[3] Pisani L, Chan J A, Montanari B, Harrison N M 2007 Phys. Rev. B 75 064418
[4] Han M Y, Oezyilmaz B, Zhang Y, Kim P 2007 Phys. Rev. Lett. 98 206805
[5] Sun J T, Du S X, Xiao W D, Hu H, Zhang Y Y, Li Guo, Gao H J 2009 Chin. Phys. B 18 3008
[6] Wei Y, Tong G P 2009 Acta Phys. Sin. 58 1931 (in Chinese) [韦勇, 童国平 2009 58 1931]
[7] Hu H X, Zhang Z H, Liu X H, Qiu M, Ding K H 2009 Acta Phys. Sin. 58 7156 (in Chinese) [胡海鑫, 张振华, 刘新海, 邱明, 丁开和 2009 58 7156 ]
[8] Son Y W, Cohen M L, Louie S G 2006 Phys. Rev. Lett. 97 216803
[9] Deng X Q, Zhang Z H, Tang G P, Fan Z Q, Qiu M 2012 Appl. Phys. Lett. 100 063107
[10] OuYang F P, Xu H, Lin F 2009 Acta Phys. Sin. 58 4132 (in Chinese) [欧阳方平, 徐慧, 林峰 2009 58 4132]
[11] Topsakal M, Aktrk E, Sevin çli H, Ciraci S 2008 Phys. Rev. B 78 235435
[12] Youngki Y, Fiori G, Seokmin H, Iannaccone G 2008 IEEE Transactions on 55 2314
[13] Peres N M R, Klironomo F D, Tsai S W, Santos J R, Lopes J M B, Castro A H 2007 Eur. Phys. Lett. 80 67007
[14] Ouyang F P, Peng S L, Liu Z F, Liu Z R 2011 ACS Nano 5 4023
[15] Liu W, Wang Z F, Shi Q W, Yang J, Liu F 2009 Phys. Rev. B 80 233405
[16] Geunisk L, Kyeongjae Cho 2009 Phys. Rev. B 79 165440
[17] Taylor J, Guo H, wang J 2001 Phys. Rev. B 63 245407
[18] Brandbyge M, Mozos J L, Ordejon P, Taylor J, Stokbro K 2002 Phys. Rev. B 65 165401
[19] He J, Chen K Q, Fan Z Q, Tang L M, Hu W P 2010 Appl. Phys. Lett. 97 193305
[20] Zeng J, Chen K Q, Sun C Q 2012 Phys. Chem. Chem. Phys. 14 8032
[21] Oswald W, Wu Z 2012 Phys. Rev. B 85 115431
[22] Wang Y, Huang Y, Song Y, Zhang X, Ma Y, Liang J, Chen Y 2009 Nano Lett. 9 220
[23] Rojas F M, Rossier J F, Palacios J J 2009 Phys. Rev. Lett. 102 136810
[24] Son Y W, Cohen M L, Louie S G 2006 Nature 444 347
[25] Sepioni M, Nair R R, Rablen S, Narayanan J, Tuna F, Winpenny R, Geim A K, Grigorieva I V 2010 Phys. Rev. Lett. 105 207205
[26] Mermin N D, Wagner H 1966 Phys. Rev. Lett. 17 1133
[27] Areshkin D A, White C T 2007 Nano Lett. 7 3253
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