Gas-sensor property of single-molecule device: F2 adsorbing effect

doi:10.1088/1674-1056/26/9/098508

Abstract The single thiolated arylethynylene molecule with 9,10-dihydroanthracene core (denoted as TADHA) possesses pronounced negative differential conductance (NDC) behavior at lower bias regime. The adsorption effects of F₂ molecule on the current and NDC behavior of TADHA molecular junctions are studied by applying non-equilibrium Green's formalism combined with density functional theory. The numerical results show that the F₂ molecule adsorbed on the benzene ring of TADHA molecule near the electrode can dramatically suppresses the current of TADHA molecular junction. When the F₂ molecule adsorbed on the conjugated segment of 9,10-dihydroanthracene core of TADHA molecule, an obviously asymmetric effect on the current curves induces the molecular system showing apparent rectifier behavior. However, the current especially the NDC behavior have been significantly enlarged when F₂ addition reacted with triple bond of TADHA molecule.

Keywords: molecular device negative differential conductance (NDC) F₂ adsorption gas-sensor effect

Received: 06 June 2017
Revised: 30 June 2017
Accepted manuscript online:

PACS:	85.65.+h	(Molecular electronic devices)
	73.63.-b	(Electronic transport in nanoscale materials and structures)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11374195), the Taishan Scholar Project of Shandong Province, China, and the Jinan Youth Science and Technology Star Project, China (Grant No. 201406004).

Corresponding Authors: Zong-Liang Li
E-mail: lizongliang@sdnu.edu.cn

Cite this article:

Zong-Liang Li(李宗良), Jun-Jie Bi(毕俊杰), Ran Liu(刘然), Xiao-Hua Yi(衣晓华), Huan-Yan Fu(傅焕俨), Feng Sun(孙峰), Ming-Zhi Wei(魏明志), Chuan-Kui Wang(王传奎) Gas-sensor property of single-molecule device: F₂ adsorbing effect 2017 Chin. Phys. B 26 098508

[1]	Cui X D, Primak A, Zarate X, Tomfohr J, Sankey O F, Moore A L, Moore T A, Gust D, Harris G and Lindsay S M 2001 Science 294 571
[2]	Xiang D, Jeong H, Lee T and Mayer D 2013 Adv. Mater. 25 4845
[3]	Wang Q, Liu R, Xiang D, Sun M, Zhao Z, Sun L, Mei T, Wu P, Liu H, Guo X, Li Z L and Lee T 2016 ACS Nano 10 9695
[4]	Jiang J, Kula M and Luo Y 2006 J. Chem. Phys. 124 034708
[5]	Zhang X J, Chen K Q, Tang L M and Long M Q 2011 Phys. Lett. A 375 3319
[6]	Liu R, Wang C K and Li Z L 2016 Sci. Rep. 6 21946
[7]	Dou K P, Fu X X, De Sarkar A and Zhang R Q 2016 Nano Res. 9 1480
[8]	Zhang X J, Chen K Q, Long M Q, He J and Gao Y L 2015 Mod. Phys. Lett. B 29 1550106
[9]	Li Z L 2011 Chin. J. Chem. Phys. 24 194
[10]	Zhang Z, Guo C, Kwong D J, Li J, Deng X and Fan Z 2013 Adv. Funct. Mater. 23 2765
[11]	Hu G C, Zhang Z, Li Y, Ren J F and Wang C K 2016 Chin. Phys. B 25 057308
[12]	Zhang G P, Wang S, Wei M Z, Hu G C and Wang C K 2017 J. Phys. Chem. C 121 7643
[13]	Fu X X, Zhang L X, Li Z L and Wang C K 2013 Chin. Phys. B 22 028504
[14]	Xu B Q, Li X L, Xiao X Y, Sakaguchi H and Tao N J 2005 Nano Lett. 5 1491
[15]	Li Z L, Zhang G P and Wang C K 2011 J. Phys. Chem. C 115 15586
[16]	Li Z L, Fu X X, Zhang G P and Wang C K 2013 Chin J. Chem. Phys. 26 185
[17]	Su W, Jiang J, Lu W and Luo Y 2006 Nano Lett. 6 2091
[18]	Xiang D, Jeong H, Kim D, Lee T, Cheng Y, Wang Q and Mayer D 2013 Nano Lett. 13 2809
[19]	Xu B Q, Xiao X Y, Yang X M, Zang L and Tao N J 2005 J. Am. Chem. Soc. 127 2386
[20]	Wang F Y and Li G Q 2016 Chin. Phys. B 25 077304
[21]	Perrin M L, Frisenda R, Koole M, Seldenthuis J S, Gil J A C, Valkenier H, Hummelen J C, Renaud N, Grozema F C, Thijssen J M and Dulić D 2014 Nat. Nanotech. 9 830 2014 Nat. Nanotech. 9 830
[22]	Yi X H, Liu R, Bi J J, Jiao Y, Wang C K and Li Z L 2016 Chin. Phys. B 25 128503
[23]	Li Y H, Yan Q, Zhou L P and Han Q 2015 Acta Phys. Sin. 64 057301 (in Chinese)
[24]	Xiang D, Zhang Y, Pyatkov F, Offenhäusser A and Mayer D 2011 Chem. Commun. 47 4760
[25]	Xu B Q and Tao N J 2003 Science 301 1221
[26]	Liu R, Bao D L, Jiao Y, Wan L W, Li Z L and Wang C K 2014 Acta Phys. Sin. 63 068501 (in Chinese)
[27]	Zhang Y F, Yi X H, Zhang Z, Sun J X and Li Z L 2015 J. At. Mol. Sci. 6 263
[28]	Xiang D, Lee T, Kim Y, Mei T T and Wang Q L 2014 Nanoscale 6 13396
[29]	Zhao W K, Cui B, Fang C F, Ji G M, Zhao J F, Kong X R, Zou D Q, Jiang X H, Li D M and Liu D S 2015 Phys. Chem. Chem. Phys. 17 3115
[30]	Song Y, Xie Z, Ma Y, Li Z L and Wang C K 2014 J. Phys. Chem. C 118 18713
[31]	Zou D, Zhao W, Fang C, Cui B and Liu D 2016 Phys. Chem. Chem. Phys. 18 11513
[32]	Wang S, Wei M Z, Hu G C, Wang C K and Zhang G P 2017 Org. Electron. 49 76
[33]	Zhao W K, Ji G M and Liu D S 2014 Phys. Lett. A 378 446
[34]	Li Y, Zhang G P, Xie Z, Zhang Z, Ren J F, Wang C K and Hu G C 2016 Chin. J. Chem. Phys. 29 344
[35]	Jiang Z L, Wang H, Shen Z Y, Sanvito S and Hou S M 2016 J. Chem. Phys. 145 044701
[36]	Hu G C, Zuo M Y, Li Y, Zhang Z, Ren J F and Wang C K 2015 Chin. Phys. B 24 077308
[37]	Zhang G P, Hu G C, Song Y, Xie Z and Wang C K 2013 J. Chem. Phys. 139 094702
[38]	Li M J, Xu H, Chen K Q and Long M Q 2012 Phys. Lett. A 376 1692
[39]	Hong W, Manrique D Z, Moreno-Garcia P, Gulcur M, Mishchenko A, Lambert C J, Bryce M R and Wandlowski T 2012 J. Am. Chem. Soc. 134 2292
[40]	Hong W, Li H, Liu S X, Fu Y, Li J, Kaliginedi V, Decurtins S and Wandlowski T 2012 J. Am. Chem. Soc. 134 19425
[41]	Bao D L, Liu R, Leng J C, Zuo X, Jiao Y, Li Z L and Wang C K 2014 Phys. Lett. A 378 1290
[42]	Chen F, Li X, Hihath J, Huang Z and Tao N 2006 J. Am. Chem. Soc. 128 15874
[43]	Yokota K, Taniguchi M, Tsutsui M and Kawai T 2010 J. Am. Chem. Soc. 132 17364
[44]	Xiang D, Pyatkov F, Schröper F, Offenhäusser A, Zhang Y and Mayer D 2011 Chem. Eur. J. 17 13166
[45]	Na J S, Ayres J, Chandra K L, Gorman C B and Parsons G N 2007 Nanotech. 18 424001
[46]	Cao H, Ma J and Luo Y 2010 Nano Res. 3 350
[47]	Lin X N, Zhang G P, Ren J F, Yuan X B and Hu G C 2014 Acta Phys. Sin. 63 068502 (in Chinese)
[48]	Li Z L, Li H Z, Ma Y, Zhang G P and Wang C K 2010 Chin. Phys. B 19 067305
[49]	Long D P, Lazorcik J L, Mantooth B A, Moore M H, Ratner M A, Troisi A, Yao Y X, Ciszek J W, Tour J M and Shashidhar R 2006 Nat. Mater. 5 901
[50]	Zou D Q, Song Y, Xie Z, Li Z L and Wang C K 2015 Phys. Lett. A 379 1842
[51]	Tian W, Yuan P F, Yu Z L, Tao B K, Hou S Y, Ye C and Zhang Z H 2015 Acta Phys. Sin. 64 046102 (in Chinese)
[52]	Chen Y, Hu H F, Wang X W, Zhang Z J and Cheng C P 2015 Acta Phys. Sin. 64 196101 (in Chinese)
[53]	Yang Z, Lang N D and Di Ventra M 2003 Appl. Phys. Lett. 82 1938
[54]	Zhang Z H, Deng X Q, Tan X Q, Qiu M and Pan J B 2010 Appl. Phys. Lett. 97 183105
[55]	Li Z L, Yi X H, Liu R, Bi J J, Fu H Y, Zhang G P, Song Y Z and Wang C K 2017 Sci. Rep. 7 4195
[56]	Brandbyge M, Mozos J L, Ordejn P, Taylor J and Stokbro K 2002 Phys. Rev. B 65 165401
[57]	Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[58]	Buttiker M, Imry Y, Landauer R and Pinhas S 1985 Phys. Rev. B 31 6207

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Gas-sensor property of single-molecule device: F₂ adsorbing effect