Theoretical Study of the Electron Transport through Aromatic Molecular Wires with Different Aromatic Rings

• Authors: Z. Bayat , E. Taghizadeh
• Languages of publication: EN

Abstracts

EN

Designing molecular systems for molecular electronics or for solar energy conversion that are capable of moving charge efficiently over long distances through molecular bridges requires a fundamental understanding of electron transport in donor-bridge-acceptor systems. In this paper theoretical investigation was performed on electron transport properties of 4-amino 4-nitro biphenyl (DBA-based molecule that was sandwiched between two gold surfaces). Dependence of the molecular electronic structure of the gold-molecule complex on the external electric field was studied, too. On the other hand, the electronic conduction was analyzed from the change in the shape of molecular orbital and the evolution of the highest occupied-lowest occupied molecular orbitals gap of the gold-molecule complex under the influence of the electric field. Values of potential barrier that were determined experimentally and the obtained results are reported in this paper.

Keywords

EN

Electron transport; aromatic; molecular wires; 4-amino 4-nitro biphenyl

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2018
• Volume: 133
• Issue: 1
• Pages: 179-185

Dates

published

2018-01

received

2017-01-20

(unknown)

2017-10-02

(unknown)

2017-10-22

Contributors

author

Z. Bayat

• Department of Chemistry, Quchan Branch, Islamic Azad University, Quchan, Iran

author

E. Taghizadeh

• Department of Chemistry, Young Researchers Club, Quchan Branch, Islamic Azad University, Quchan, Iran

References

• [1] L.A. Bumm, J.J. Arnold, M.T. Cygan, T.D. Dunbar, T.P. Burgin, L. Jones, D.L. Allara, J.M. Tour, P.S. Weiss, Science 271, 1705 (1996), doi: 10.1126/science.271.5256.1705
• [2] M.A. Reed, C. Zhou, C.J. Muller, T.P. Burgin, J.M. Tour, Science 278, 252 (1997), doi: 10.1126/science.278.5336.252
• [3] R.M. Metzger, B. Chen, U. Holpfner, M.V. Lakshmikantham, D. Vuillaume, T. Kawai, X. Wu, H. Tachibana, T.V. Hughes, H. Sakurai, J.W. Baldwin, C. Hosch, M.P. Cava, L. Brehmer, G.J. Ashwell, J. Am. Chem. Soc. 119, 10455 (1997), doi: 10.1021/ja971811e
• [4] D.I. Gittins, D. Bethell, D.J. Schiffrin, R.J. Nichols, Nature 408, 67 (2000), doi: 10.1038/35040518
• [5] R.P. Andres, J.O. Bielefeld, J.I. Henderson, B.D. Janes, V.R. Kolagunta, C.P. Kubiak, W.J. Mahoney, R.G. Osifchin, Science 273, 1690 (1997), doi: 10.1126/science.273.5282.1690
• [6] V. Capek, T. Mancal, Europhys. Lett. 48, 365 (1999), doi: 10.1063/1.3665227
• [7] G. Ho, J.R. Heath, M. Kondratenko, D.F. Perepichka, K. Arseneault, M. Pezolet, M.R. Bryce, Chem. Eur. J. 11, 2914 (2005), doi: 10.1002/chem.200401121
• [8] N.J. Geddes, J.R. Sambles, D.J. Jarvis, W.G. Parker, Appl. Phys. Lett. 56, 1916 (1990), doi: 10.1063/1.103043
• [9] A.C. Brady, B. Hodder, A.S. Martin, J.R. Sambles, C.P. Ewels, R. Jones, P.R. Briddon, A.M. Musa, C.A. Panetta, J. Mater. Chem. 9, 2271 (1999), doi: 10.1039/A902107H
• [10] R.M. Metzger, J.W. Baldwin, W.J. Shumate, I.R. Peterson, P. Mani, G.J. Mankey, T. Morris, G. Szulczewski, S. Bosi, M. Prato, A. Comito, Y. Rubin, J. Phys. Chem. B 107, 1021 (2003), doi: 10.1039/b602203k
• [11] P. Kornilovich, A.M. Bratkovski, S.-C. Chang, R.S. Williams, US Patent No. 66,70631, 2003
• [12] W.B. Davis, W.A. Svec, M.A. Ratner, M.R. Wasielewski, Nature 396, 60 (1998), doi: 10.1038/23912396
• [13] W.B. Davis, M.A. Ratner, M.R. Wasielewski, J. Am. Chem. Soc. 123, 7877 (2001), doi: 10.1021/ja010330z
• [14] S. Sitha, K. Bhanuprakash, J. Mol. Struct. Theochem. 761, 31 (2006), doi: 10.1021/jp011888w
• [15] J.C. Ellenbogen, J.C. Love, Proc. IEEE 88, 386 (2000), doi: 10.1016/j.physe.2011.03.018
• [16] Z. Bayat, S. Daneshnia, S.J. Mahdizadeh, J. Physica E 43, 1569 (2011), doi: 10.1016/j.physe.2011.03.018
• [17] H.Y. Hwang, S.-W. Cheong, N.P. Ong, B. Batlogg, Phys. Rev. Lett. 77, 2041 (1996), doi: 10.1103/PhysRevLett.77.2041
• [18] M. Ziese, Phys. Rev. B 60, R738 (1999), doi: 10.1103/PhysRevB.60.R721
• [19] P.K. Siwach, H.K. Singh, O.N. Srivastava, J. Phys. Condens. Matter 20, 273201 (2008)), doi: 10.1088/0953-8984/20/27/273201
• [20] J.G. Kushmerick, D.B. Holt, S.K. Pollack, M.A. Ratner, J.C. Yang, T.L. Schull, J. Naciri, M.H. Moore, R. Shashidhar, J. Am. Chem. Soc. 124, 10654 (2002), doi: 10.1021/ja027090n
• [21] K.W. Hipps, Science 294, 536 (2001), doi: 10.1126/science.1065708
• [22] J.M. Beebe, V.B. Engelkes, L.L. Miller, C.D. Frisbie, J. Am. Chem. Soc. 124, 11268 (2002), doi: 10.1021/ja0268332
• [23] Y. Xue, S. Datta, S. Hongy, R. Reifenberger, J.I. Henderson, C.P. Kobiak, Phys. Rev. B 59, R7852 (1999), doi: 10.1103/PhysRevB.59.12604
• [24] S.N. Yaliraki, A.E. Roitberg, C. Gonzalez, V. Mujica, M.A. Ratner, J. Chem. Phys. 111, 6997 (1999), doi: 10.1063/1.480096
• [25] X. Yin, Y. Li, Y. Zhang, P. Li, J. Zhao, Chem. Phys. Lett. 422, 111 (2006), doi: 10.1016/j.cplett.2006.02.020
• [26] K. Prashant, P.K. Jain, J. Phys. Chem. B 110, 7238-48 (2006), doi: 10.1021/jp057170o
• [27] P.K. Jain, Struct. Chem. 16, 421 (2005), doi: 10.1007/s11224-005-6350-8
• [28] C. Majumder, T.M. Briere, H. Mizuseki, Y. Kawazoe, J. Chem. Phys. 117, 7669 (2002), doi: 10.1063/1.1509053
• [29] H. Fueno, M. Hayashi, K. Nin, A. Kubo, Y. Misaki, K. Tanaka, Curr. Appl. Phys. 6, 939 (2006), doi: 10.1016/j.cap.2005.01.051
• [30] M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Suzerain, M.A. Robb, J.R. Cheeseman Jr., J.A. Montgomery, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 09 (now Gaussian 16), Gaussian Inc., Wallingford (CT) 2016 http://gaussian.com/gaussian16/
• [31] S.S. Mallajosyula, J.C. Lin, D.L. Cox, S.K. Pati, R.R.P. Singh, Phys. Rev. Lett. 101, 176805 (2008), doi: 10.1103/PhysRevLett.101.176805
• [32] I. Amlani, A.M. Rawlett, L.A. Nagahara, R.K. Tsui, Appl. Phys. Lett. 80, 2761 (2002), doi: 10.1088/0957-4484/14/3/305
• [33] Y. Ye, M. Zhang, J. Zhao, J. Mol. Struct. (Theochem) 822, 12 (2007), doi: 10.1016/j.theochem.2007.07.007
• [34] Y. Li, J. Zhao, X. Yin, G. Yin, J. Phys. Chem. A 110, 11130 (2006), doi: 10.1021/jp0557058
• [35] C. Majumder, H. Mizuseki, Y. Kawazoe, J. Phys. Chem. A 105, 9454 (2001), doi: 10.1021/jp011888w
• [36] C. Majumder, T. Briere, H. Mizuseki, Y. Kawazoe, J. Phys. Chem. A 106, 7911 (2002), doi: 10.1021/jp0258560
• [37] H. Mizuseki, K. Niimura, C. Majumder, Y. Kawazoe, Computat. Mater. Sci. 27, 161 (2003), doi: 10.1016/S0927-0256(02)00440-8
• [38] K. Sohlberg, N. Vedova-Brook, J. Comput. Theo. Nanosci. 1, 256 (2004), doi: 10.1103/PhysRevB.67.113408
• [39] H. Chen, J.Q. Lu, J. Wu, R. Note, H. Mizuseki, Y. Kawazoe, Phys. Rev. B 67, 113408 (2003), doi: 10.1103/PhysRevB.67.113408
• [40] J.C. Ellenbogen, J.C. Love, Proc. IEEE 88, 386 (2000), doi: 10.1109/5.838115

Identifiers

DOI

10.12693/APhysPolA.131.179