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By using nonequilibrium Green's functions in combination with the first principles density functional theory, for the similar right triangle graphene devices as the research object, we take the zigzag graphene as electrodes, to investigate the B(N) doping and B-N co-doping effect, i.e. mainly the influence of doping on the transport properties of similar right triangle graphene devices, as well as the asymmetric doping effect on the rectifying behaviors in similar right triangle graphene devices. Calculated results show that the system conductivity is increased when the vertex carbon atom of a similar right triangle graphene is substituted by a boron or nitrogen atom, and a novel rectifying effect appears. The rectification behavior can be observed because of an asymmetric movement on the molecular-level in B(N) doping in the similar right triangle graphene devices under positive and negative biases and the asymmetry in the spatial distribution of the frontier orbitals. Most importantly, when the vertex carbon atoms of the right and left similar right triangle graphenes are simultaneously doped with boron and nitrogen atoms, the rectifying effect of the system is significantly enhanced and appears also a negative differential resistance effect.
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Keywords:
- molecular device /
- rectifying effect /
- transport properties /
- non-equilibrium Green'
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[2] Wen S Z, Yang G C, Yan L K, Li H B, Su Z M 2013 Chem. Phys. Chem. 14 610
[3] Zhao P, Liu D S, Zhang Y, Su Y, Liu H Y, Li S J, Chen G 2012 J. Phys. Chem. C 116 7968
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[13] He J, Chen K Q, Fan Z Q, Tang L M, Hu W P 2010 Appl. Phys. Lett. 97 193305
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[20] Deng X Q, Zhang Z H, Tang G P, Fan Z Q, Qiu M, Guo C 2012 Appl. Phys. Lett. 100 063107
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[22] Zhao P, Liu D S, Zhang Y, Su Y, Liu H Y, Li S J, Chen G 2012 Solid State Commun. 152 1061
[23] Yan S L, Long M Q, Zhang X J, He J, Xu H, Chen K Q 2014 Chem. Phys. Lett. 608 28
[24] Zhao P, Liu D S, Chen G 2013 Solid State Commun. 160 13
[25] Zeng M G, Shen L, Yang M, Zhang C, Feng Y P 2011 Appl. Phys. Lett. 98 053101
[26] Pei T, Xu H, Zhang Z, Wang Z, Liu Y, Li Y, Wang S, Peng L M 2011 Appl. Phys. Lett. 99 113102
[27] Wang Z F, Li Q, Shi Q W, Wang X, Hou J G, Zheng H, Chen J 2008 Appl. Phys. Lett. 92 133119
[28] Zeng J, Chen K Q, He J, Fan Z Q, Zhang X J 2011 J. Appl. Phys. 109 124502
[29] Lin Q, Chen Y H, Wu J B, Kong Z M 2011 Acta Phys. Sin. 60 097103(in Chinese) [林琦, 陈余行, 吴建宝, 孔宗敏 2011 60 097103]
[30] Zhang Z H, Deng X Q, Tan X Q, Qiu M, Pan J B 2010 Appl. Phys. Lett. 97 183105
[31] Deng X Q, Tang G P, Guo C 2012 Phys. Lett. A 376 1839
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[1] Tsuji Y, Staykov A, Yoshizawa K 2012 J. Phys. Chem. C 116 2575
[2] Wen S Z, Yang G C, Yan L K, Li H B, Su Z M 2013 Chem. Phys. Chem. 14 610
[3] Zhao P, Liu D S, Zhang Y, Su Y, Liu H Y, Li S J, Chen G 2012 J. Phys. Chem. C 116 7968
[4] Aviram A, A Ratner M 1974 Chem. Phys. Lett. 29 277
[5] Stokbro K, Taylor J 2003 J. Am. Chem. Soc. 125 3674
[6] Ford M J, Hoft R C, Mcdonagh A M, Cortie M B 2008 J. Phys.: Condens. Matter 20 374106
[7] Stadler R, Geskin V, Cornil J 2008 J. Phys.: Condens. Matter 20 374105
[8] Yee S K, Sun J, Darancet P, Tilley T D, Majumdar A, Neaton J B, Segalman R A 2011 ACS Nano 5 9256
[9] Zheng X H, Wang R N, Song L L, Dai Z X, Wang X L, Zeng Z 2009 Appl. Phys. Lett. 95 123109
[10] Kang J, Wu F M, Li J B 2011 Appl. Phys. Lett. 98 083109
[11] Li J, Li Z Y, Zhou G, Liu Z R, Wu J, Gu B L, Ihm J, Duan W H 2010 Phys. Rev. B 82 115410
[12] Li Z, Yang J, Hou J G 2008 J. Am. Chem. Soc. 130 4224
[13] He J, Chen K Q, Fan Z Q, Tang L M, Hu W P 2010 Appl. Phys. Lett. 97 193305
[14] Zhang Z Q, Liu B, Hwang K C, Gao H J 2011 Appl. Phys. Lett. 98 121909
[15] Campos L C, Manfrinato V R, Yamagishi J D S, Kong J, Herrero P J 2009 Nano Lett. 9 2600
[16] Beljakov I, Meded V, Symalla F, Fink K, Shallcross S, Wenzel W 2013 J. Nanotechnol. 4 441
[17] Zeng H, Zhao J, Wei J W, Xu D H, Leburton J P 2012 Curr. Appl. Phys. 12 1611
[18] Liu H M, B Wang H, Zhao J W, Kiguchi M 2013 J. Comp. Chem. 34 360
[19] Zeng H, Zhao J, Wei J W, Zeng X L, Xu Y 2012 Phys. Let. A 376 3277
[20] Deng X Q, Zhang Z H, Tang G P, Fan Z Q, Qiu M, Guo C 2012 Appl. Phys. Lett. 100 063107
[21] Zeng J, Chen K Q, He J, Zhang X J, Sun C Q 2011 J. Phys. Chem. C 115 25072
[22] Zhao P, Liu D S, Zhang Y, Su Y, Liu H Y, Li S J, Chen G 2012 Solid State Commun. 152 1061
[23] Yan S L, Long M Q, Zhang X J, He J, Xu H, Chen K Q 2014 Chem. Phys. Lett. 608 28
[24] Zhao P, Liu D S, Chen G 2013 Solid State Commun. 160 13
[25] Zeng M G, Shen L, Yang M, Zhang C, Feng Y P 2011 Appl. Phys. Lett. 98 053101
[26] Pei T, Xu H, Zhang Z, Wang Z, Liu Y, Li Y, Wang S, Peng L M 2011 Appl. Phys. Lett. 99 113102
[27] Wang Z F, Li Q, Shi Q W, Wang X, Hou J G, Zheng H, Chen J 2008 Appl. Phys. Lett. 92 133119
[28] Zeng J, Chen K Q, He J, Fan Z Q, Zhang X J 2011 J. Appl. Phys. 109 124502
[29] Lin Q, Chen Y H, Wu J B, Kong Z M 2011 Acta Phys. Sin. 60 097103(in Chinese) [林琦, 陈余行, 吴建宝, 孔宗敏 2011 60 097103]
[30] Zhang Z H, Deng X Q, Tan X Q, Qiu M, Pan J B 2010 Appl. Phys. Lett. 97 183105
[31] Deng X Q, Tang G P, Guo C 2012 Phys. Lett. A 376 1839
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