Effect of Nitrogen on Negative Differential Conductance in Polythiophene Molecular Bridge

الموضوعات : فصلنامه نانوساختارهای اپتوالکترونیکی

Mohammad Nasiri fard ¹ (Department of Physics, Imam Khomeini International University, Qazvin 3414896818, Iran.)
Somaieh Ahmadi ² (Department of Physics, Imam Khomeini International University, Qazvin 3414896818, Iran)
leila eslami ³ (Plasma Physics Research Center, Science and Research Branch, Islamic Azad University)

تاريخ الإرسال : 27 الخميس , رجب, 1442 تاريخ التأكيد : 22 الأحد , ذو الحجة, 1442 تاريخ الإصدار : 19 السبت , رمضان, 1442

الکلمات المفتاحية: Green’s function method, Molecular device, Negative differential resistance, Polythiophene,

ملخص المقالة :

Polythiophene is a highly conductive molecule which possesses thermal and chemical stability showing great performance in electrical devices. Polythiophene also shows an uncommon highly demanding electrical property named negative differential resistance which is a decrease of electron current with increase of applied voltage. To address this issue, in this work we study theoretically electron transport properties of a polythiophene molecular bridge sandwiched between two metal leads in the presence of Nitrogen atom as a substitute for one or two of the Carbon atoms in the molecule. The results based on Green’s function formalism show that the presence of Nitrogen reduces the electron transmission coefficient. On the other hand, Nitrogen can lead to amplification of negative differential resistance. Strength of the resistance is affected by the positions and number of Nitrogen atoms in the system. Therefore, choosing right positions for locating impurities is very important. We found that by substituting a Carbon atom with Nitrogen in some positions the system shows notable negative differential resistance. Besides, when two Carbon atoms are replaced by Nitrogen atoms there are some special locations that not only the system shows negative deferential resistance but also it works as an electronic molecular switch which is highly demanding in electronic industry.

المصادر:

[1] M. Jafari, Electronic Transmission Wave Function of Disordered Graphene by Direct Method and Green's Function Method, Journal of Optoelectronical Nanostructures, 1, (summer 2016) 57-68.

[2] H. Faezinia1, M. Zavvari, Quantum modeling of light absorption in graphene based photo-transistors, Journal of Optoelectronical Nanostructures, 2, (winter 2017) 9-20.

[3] S. Fotoohi, S. Haji-Nasiri, Vacancy Defects Induced Magnetism in Armchair Graphdiyne Nanoribbon, Journal of Optoelectronical Nanostructures, 4, (Autumn 2019) 15-38.

[4] M. Hasani, R. Chege, Electronic and Optical Properties of the Graphene and Boron Nitride Nanoribbons in Presence of the Electric Field, Journal of Optoelectronical Nanostructures, 5, (Spring 2020) 49-64.

[5] S. J. Mousavi, Ab-initio LSDA Study of the Electronic States of Nano Scale Layered LaCoO3/Mn Compound: Hubbard Parameter Optimization, Journal of Optoelectronical Nanostructures, 4, (Autumn 2020) 111-122.

[6]          Z.-Q. Fan, F. Xie, X.-W. Jiang, Z. Wei, and S.-S. Li, Giant decreasing of spin current in a single molecular junction with twisted zigzag graphene nanoribbon electrodes, Carbon, 110, (December 2016) 200-206.

[7]          W. Lu, V. Meunier, and J. Bernholc, Nonequilibrium Quantum Transport Properties of Organic Molecules on Silicon, Physical Review Letters, 95, (November 2005) 206805.

[8]          F. Flores, J. Ortega, and H. Vázquez, Modelling energy level alignment at organic interfaces and density functional theory, Physical Chemistry Chemical Physics, 11, (October 2009) 8658.

[9]          J. Liu and R. Yang, Length-dependent thermal conductivity of single extended polymer chains, Physical Review B, 86, (September 2012) 104307.

[10]        X. J. Liu and Z. An, Structural change-induced negative differential resistance in polythiophene, Organic Electronics, 12, (August 2011) 1352-1357.

[11]        Q. Chen, X. Wang, F. Chen, N. Zhang, and M. Ma, Extremely strong and tough polythiophene composite for flexible electronics, Chemical Engineering Journal, 368, (July 2019) 933-940.

[12]        D. Djukic and J. M. van Ruitenbeek, Shot Noise Measurements on a Single Molecule, Nano Letters, 6, (March 2006) 789-793.

[13]        A. Mu, O. Shein-Lumbroso, O. Tal, and D. Segal, Origin of the Anomalous Electronic Shot Noise in Atomic-Scale Junctions, The Journal of Physical Chemistry C, 123, (September 2019) 23853-23862.

[14]        J. Li, Z. H. Zhang, J. J. Zhang, W. Tian, Z.Q. Fan, X.Q. Deng and G. P. Tang, Spin polarization effects of zigzag-edge graphene electrodes on the rectifying performance of the D-σ-A molecular diode, Organic Electronics, 14, (March 2013) 958-965.

[15]        N. Liu, J. B. Liu, and K. L. Yao, Spin transport properties of single molecule magnet Mn(dmit)₂ devices with phosphorene electrodes, Journal of Magnetism and Magnetic Material, 498, (March 2020) 166145.

[16]        D. Li, R. Banerjee, S. Mondal, I. Maliyov, M. Romanova, Y. J. Dappe, and A. Smogunov, Symmetry aspects of spin filtering in molecular junctions: Hybridization and quantum interference effects, Physical Review B, 99, (March 2019) 115403.

[17]        S. Chakraborty and S. K. Maiti, Possible routes for efficient  thermo-electric energy conversion in a molecular junction, ChemPhysChem, 20, (February 2019) 848-860.

[18]        X. Yang, F. Tan, Y. Dong, H. Yu, and Y. Liu, Transition metal-containing molecular devices: controllable single-spin negative differential thermoelectric resistance effects under gate voltages, Physical Chemistry Chemical Physics, 21, (March 2019) 5243.

[19]        M. Galperin, M. A. Ratner, and A. Nitzan, Hysteresis, Switching, and Negative Differential Resistance in Molecular Junctions:  A Polaron Model, Nano Letters, 5, (December 2005) 125-130.

[20]        W. Liu, S. Cai, and X. Deng, Rectifying Performance and Negative Differential Resistance Behavior of Doping Atoms Effect in Polyphenyls, Journal of Electronic Materials, 44, (December 2015) 667-674.

[21]        L. Gu and H.-H. Fu, Current-induced forces: a new mechanism to induce negative differential resistance and current-switching effect in molecular junctions, Nanotechnology, 26, (November 2015) 485703.

[22]        L. Esaki, New Phenomenon in Narrow Germanium p-n Junctions, Physical Review, 109, (January 1958) 603.

[23]        J. Chen, M. A. Reed, A. M. Rawlett, and J. M. Tour, Large On-Off Ratios and Negative Differential Resistance in a Molecular Electronic Device, Science, 286, (November 1999) 1550-1552.

[24]        R. A. Kiehl, J. D. Le, P. Candra, R. C. Hoye, and T. R. Hoye, Charge storage model for hysteretic negative-differential resistance in metal-molecule-metal junctions, Applied Physics Letters, 88, (September 2006) 172102.

[25]        H. B. Heersche et al., Electron transport through single Mn₁₂ molecular magnets, Physical Review Letters, 96, (May 2006) 206801.

[26]        J. He and S. M. Lindsay, On the Mechanism of Negative Differential Resistance in Ferrocenylundecanethiol Self-Assembled Monolayers, Journal of American Chemical Society, 127, (August 2005) 11932-11933.

[27]        J. M. Seminario, A. G. Zacarias, and J. M. Tour, Theoretical Study of a Molecular Resonant Tunneling Diode, Journal of American Chemical Society, 122, (March 2000) 3015-3020.

[28]        A. A. Farajian, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, T. Hashizume, and B. I. Yakobson, Gate-induced switching and negative differential resistance in a single-molecule transistor: Emergence of fixed and shifting states with molecular length, Journal of Chemical Physics, 127, (July 2007) 024901.

[29]        X. J. Liu, K. L. Dong, and Z. An, Influence of heterogeneous sulfur atoms on the negative differential resistance effect in polythiophene, Journal of Applied Physics, 116, (September 2014) 093706.

[30] W. P. Su, J. R. Schrieffer, and A. J. Heeger, Solitons in Polyacetylene, Physical Review Letters, 42, (1979) 1698.

[31]        T. C. Chung, J. H. Kaufman, A. J. Heeger, and F. Wudl, Charge storage in doped poly(thiophene): Optical and electrochemical studies, Physical Review B, 30, (July 1984) 702.

[32]        T. C. Li and S. P. Lu, Quantum conductance of graphene nanoribbons with edge defects, Physical Review B, 77, (February 2008) 085405.

[33]        M. P. L. Sancho, J. M. L. Sancho, and J. Rubio, Quick iterative scheme for the calculation of transfer matrices: application to Mo (100), Journal of Physics F: Metal Physics, 14, (May 1984) 1205.

[34] S. Datta, Electronic transport in Messoscopic systems, 1^st ed. Cambridge, 1997.