Regulation strategies based on quantum interference in electrical transport of single-molecule devices

Li Rui-Hao; Liu Jun-Yang; Hong Wen-Jing

doi:10.7498/aps.71.20211819

Abstract

The quantum interference effect in single-molecule devices is a phenomenon in which electrons are coherently transported through different frontier molecular orbitals with multiple energy levels, and the interference will occur between different energy levels. This phenomenon results in the increase or decrease of the probability of electron transmission in the electrical transport of the single-molecule device, and it is manifested in the experiment when the conductance value of the single-molecule device increases or decreases. In recent years, the use of quantum interference effects to control the electron transport in single-molecule device has proved to be an effective method, such as single-molecule switches, single-molecule thermoelectric devices, and single-molecule spintronic devices. In this work, we introduce the related theories of quantum interference effects, early experimental observations, and their regulatory role in single-molecule devices.

Keywords:

Authors and contacts

State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China

Corresponding author: Liu Jun-Yang, jyliu@xmu.edu.cn ; Hong Wen-Jing, whong@xmu.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 21933012, 31871877), the National Key R&D Program of China (Grant No. 2017YFA0204902), and the Fundamental Research Funds for the Central Universities, China (Grant Nos. 20720200068, 20720190002).

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References

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Cited By

图 1 单分子器件量子干涉效应的理论预测、实验观测以及对于器件性能的调控

Figure 1. Theoretical prediction, experimental observation and regulation of quantum interference effect in single-molecule devices.

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图 2 (a)分子结的电学测量示意图; (b)分子结的电输运原理图; (c)通过苯环的对位和间位进行连接的分子上的电输运通路; (d)具有相增量子干涉效应(红色)和相消量子干涉效应(蓝色)的分子的透射谱^[20]

Figure 2. (a) Schematic of the electrical measurement of molecular junction; (b) the mechanism of electron transport in a molecular junction; (c) different electron transport pathways in Para and Meta site connected benzene ring; (d) the transmission spectrum of molecules with CQI (red) and DQI (blue) effects respectively^[20].

DownLoad: Full-Size Img PowerPoint

图 3 (a)分子AC, AQ和AH的结构^[35]; (b)—(d)分别为AC, AQ和AH的单分子一维电导图^[35]; (e)分子AQ-DT, AQ-MT, AC-DT以及OPE3-DT的分子结构^[37]; (f), (g)分别为AC-DT和AQ-DT分子层的I-V特性曲线^[37]; (h)理论计算的AQ-MT, AC-DT以及AQ-DT的透射谱^[37]

Figure 3. (a) Molecular structure of AC, AQ and AH respectively^[35]; (b)–(d) the one-dimensional conductance histogram of AC, AQ and AH respectively^[35]; (e) the molecular structure of AQ-DT, AQ-MT, AC-DT and OPE3-DT^[37]; (f), (g) the two-dimensional I-V histogram of AC-DT and AQ-DT respectively^[37]; (h) the transmission spectrum of AQ-MT, AC-DT, and AQ-DT^[37].

DownLoad: Full-Size Img PowerPoint

图 4 (a)上方图表示费米能级在2个相同相位的分子轨道之间引起的相消量子干涉示意图, 下方图表示费米能级在2个具有相反相位的分子轨道上方引起的相消量子干涉示意图; (b)分别对应图(a)中2种相消量子干涉效应的透射谱; (c) 3个目标分子的一维电导统计图; (d) 3个目标分子的I-V特性曲线图; (e) 3号分子在方波电压激励下的电流响应; (f) 3个目标分子的透射谱^[49]

Figure 4. (a) Schematic diagram of DQI caused by Fermi level between two molecular orbitals with the same phase (upper) and the schematic diagram of DQI caused by Fermi level above two molecular orbitals with opposite phase (lower); (b) the transmission spectrum corresponding to the two DQI mechanisms shown in (a); (c) one-dimensional conductance histograms of three target molecules; (d) I-V curves of three target molecules; (e) the current response square wave voltage modulation of molecular 3; (f) transmission spectrum of three target molecules^[49].

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图 5 (a), (b)分别为Para-OPE3和Meta-OPE3的分子结构; (c), (d)分别为Para-OPE3和Meta-OPE3在不同温度下的热电势; (e) Para-OPE3和Meta-OPE3的透射谱; (f)由透射谱得到的Para-OPE3和Meta-OPE3的透射概率斜率随能级的变化谱^[69]

Figure 5. (a), (b) Geometry of Para-OPE3 and Meta-OPE3 molecular junctions respectively; (c), (d) the thermoelectric voltages as a function of ΔT of Para-OPE3 and Meta-OPE3 respectively; (e) the transmission spectrum of Para-OPE3 and Meta-OPE3; (f) the slope of transmission at logarithm scale of Para-OPE3 and Meta-OPE3^[69].

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图 6 (a)银/钒烯/银单分子结量子电流通路引起的自旋滤波示意图; (b)银/钒烯/银单分子结的自旋极化电导图; (c), (d)分别为银/钒烯/银和银/二茂铁/银单分子结的法诺系数; (e)银/钒烯/银单分子结垂直构型电子输运路径; (f)不同输运路径的自旋分辨电子输运透射率^[73]

Figure 6. (a) Schematic of the Ag/vanadocene/Ag molecular junction of spin filter that induced by quantum interference; (b) schematic of the Ag/vanadocene molecular spin polarization junction; (c), (d) Fano factor of Ag/vanadocene/Ag and Ag/ferrocene/Ag junctions respectively; (e) spin transmission across the Ag/vanadocene/Ag junction of perpendicular molecular junction; (f) spin transmission in different charge transport pathways^[73].

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图 7 (a) SPPO分子加酸之后的2种共振式; (b), (c)分别为SPPO分子以及加酸之后形成的SPPO-H⁺的二维电导-长度统计图, 插入的小图为台阶长度统计图^[74]; (d) DTB-A与DTB-B分子结示意图; (e), (f)分别为DTB-A与DTB-B加氟离子前后一维电导图^[75]

Figure 7. (a) Two resonance structures of SPPO after protonation with acid; (b), (c) the 1D conductance-displacement histogram of SPPO and SPPO-H⁺ respectively, where the inset is the displacement count histogram^[74]; (d) the molecular structure of DTB-A and DTB-B; (e), (f) the one-dimensional conductance histograms of DTB-A and DTB-B in TMB solvent and introduction of the fluoride ion respectively^[75].

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[2]	Lü J T, Brandbyge M, Hedegård P, Todorov T N, Dundas D 2012 Phys. Rev. B 85 245444 Google Scholar
[3]	Lü J T, Hedegård P, Brandbyge M 2011 Phys. Rev. Lett. 107 046801 Google Scholar
[4]	Huang C, Jevric M, Borges A, et al. 2017 Nat. Commun. 8 15436 Google Scholar
[5]	Sangtarash S, Huang C, Sadeghi H, et al. 2015 J. Am. Chem. Soc. 137 11425 Google Scholar
[6]	Manrique D Z, Huang C, Baghernejad M, Zhao X, Al-Owaedi O A, Sadeghi H, Kaliginedi V, Hong W, Gulcur M, Wandlowski T, Bryce M R, Lambert C J 2015 Nat. Commun. 6 6389 Google Scholar
[7]	Carlotti M, Kovalchuk A, Waechter T, Qiu X, Zharnikov M, Chiechi R C 2016 Nat. Commun. 7 13904 Google Scholar
[8]	Huang B, Liu X, Yuan Y, Hong Z W, Zheng J F, Pei L Q, Shao Y, Li J F, Zhou X S, Chen J Z, Jin S, Mao B W 2018 J. Am. Chem. Soc. 140 17685 Google Scholar
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[11]	McCreery R L, Bergren A J 2009 Adv. Mater. 21 4303 Google Scholar
[12]	Sun L, Diaz-Fernandez Y A, Gschneidtner T A, Westerlund F, Lara-Avila S, Moth-Poulsen K 2014 Chem. Soc. Rev. 43 7378 Google Scholar
[13]	Gao H J, Gao L 2010 Prog. Surf. Sci. 85 28 Google Scholar
[14]	Lambert C J 2015 Chem. Soc. Rev. 44 875 Google Scholar
[15]	Chen F, Hihath J, Huang Z, Li X, Tao N J 2007 Annu. Rev. Phys. Chem. 58 535 Google Scholar
[16]	Su T A, Neupane M, Steigerwald M L, Venkataraman L, Nuckolls C 2016 Nat. Rev. Mater. 1 16002 Google Scholar
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[18]	Zhao X, Geskin V, Stadler R 2017 J. Chem. Phys. 146 092308 Google Scholar
[19]	Nelson E 1966 Phys. Rev. 150 1079 Google Scholar
[20]	Gunasekaran S, Greenwald J E, Venkataraman L 2020 Nano Lett. 20 2843 Google Scholar
[21]	Cheng P, Li Y, Chang S 2020 Acta Phys. Chim. Sin. 36 1909043 Google Scholar
[22]	Zhang K, Wang C, Zhang M, Bai Z, Xie F F, Tan Y Z, Guo Y, Hu K J, Cao L, Zhang S 2020 Nat. Nanotechnol. 15 1019 Google Scholar
[23]	Guo X, Liang W J 2019 Chin. Phys. Lett. 36 127301 Google Scholar
[24]	Noguchi Y, Nagase T, Kubota T, Kamikado T, Mashiko S 2006 Thin Solid Films 499 90 Google Scholar
[25]	Jia C, Ma B, Xin N, Guo X 2015 Acc. Chem. Res. 48 2565 Google Scholar
[26]	Quintans C S, Andrienko D, Domke K F, Aravena D, Koo S, Díez-Pérez I, Aragonès A C 2021 Appl. Sci. 11 3317 Google Scholar
[27]	Xiang D, Jeong H, Lee T, Mayer D 2013 Adv. Mater. 25 4845 Google Scholar
[28]	Frisenda R, Janssen V A E C, Grozema F C, van der Zant H S J, Renaud N 2016 Nat. Chem. 8 1099 Google Scholar
[29]	Moreno-Garcia P, Gulcur M, Manrique D Z, et al. 2013 J. Am. Chem. Soc. 135 12228 Google Scholar
[30]	Su T A, Li H, Steigerwald M L, Venkataraman L, Nuckolls C 2015 Nat. Chem. 7 215 Google Scholar
[31]	Bai J, Daaoub A, Sangtarash S, et al. 2019 Nat. Mater. 18 364 Google Scholar
[32]	Hybertsen M S, Venkataraman L 2016 Acc. Chem. Res. 49 452 Google Scholar
[33]	Xu B Q, Tao N J J 2003 Science 301 1221 Google Scholar
[34]	Zhao Z, Liu R, Mayer D, et al. 2018 Small 14 1703815 Google Scholar
[35]	Hong W, Valkenier H, Meszaros G, et al. 2011 Beilstein J. Nanotechnol. 2 699 Google Scholar
[36]	Saraiva-Souza A, Smeu M, Zhang L, Souza Filho A G, Guo H, Ratner M A 2014 J. Am. Chem. Soc. 136 15065 Google Scholar
[37]	Guedon C M, Valkenier H, Markussen T, et al. 2012 Nat. Nanotechnol. 7 304 Google Scholar
[38]	Zhang J L, Zhong J Q, Lin J D, Hu W P, Wu K, Xu G Q, Wee A T S, Chen W 2015 Chem. Soc. Rev. 44 2998 Google Scholar
[39]	Yin X, Zang Y, Zhu L, Low J Z, Liu Z F, Cui J, Neaton J B, Venkataraman L, Campos L M 2017 Sci. Adv. 3 eaao2615 Google Scholar
[40]	Chen J, Reed M A, Rawlett A M, Tour J M 1999 Science 286 1550 Google Scholar
[41]	Liu X, Sangtarash S, Reber D, et al. 2017 Angew. Chem. Int. Ed. 56 173 Google Scholar
[42]	Yang Y, Gantenbein M, Alqorashi A, et al. 2018 J. Phys. Chem. C 122 14965 Google Scholar
[43]	Nitzan A 2001 Annu. Rev. Phys. Chem. 52 681 Google Scholar
[44]	Borges A, Fung E D, Ng F, Venkataraman L, Solomon G C 2016 J. Phys. Chem. Lett. 7 4825 Google Scholar
[45]	Stefani D, Weiland K J, Skripnik M, et al. 2018 Nano Lett. 18 5981 Google Scholar
[46]	Yang G, Sangtarash S, Liu Z, et al. 2017 Chem. Sci. 8 7505 Google Scholar
[47]	Soni S, Ye G, Zheng J, Zhang Y, Asyuda A, Zharnikov M, Hong W, Chiechi R C 2020 Angew. Chem. Int. Ed. 59 14308 Google Scholar
[48]	Li Y, Buerkle M, Li G, et al. 2019 Nat. Mater. 18 357 Google Scholar
[49]	Greenwald J E, Cameron J, Findlay N J, et al. 2021 Nat. Nanotechnol. 16 313 Google Scholar
[50]	He R, Schierning G, Nielsch K 2018 Adv. Mater. Technol. 3 1700256 Google Scholar
[51]	Boulanger C 2010 J. Electron. Mater. 39 1818 Google Scholar
[52]	Yang J, Yip H L, Jen A K Y 2013 Adv. Energy Mater. 3 549 Google Scholar
[53]	Zeng Y J, Wu D, Cao X H, Zhou W X, Tang L M, Chen K Q 2020 Adv. Funct. Mater. 30 1903873 Google Scholar
[54]	Kroon R, Mengistie D A, Kiefer D, Hynynen J, Ryan J D, Yu L, Muller C 2016 Chem. Soc. Rev. 45 6147 Google Scholar
[55]	Petsagkourakis I, Tybrandt K, Crispin X, Ohkubo I, Satoh N, Mori T 2018 Sci. Technol. Adv. Mater. 19 836 Google Scholar
[56]	Zhang Q, Sun Y, Xu W, Zhu D 2014 Adv. Mater. 26 6829 Google Scholar
[57]	Wang H, Yu C 2019 Joule 3 53 Google Scholar
[58]	Russ B, Glaudell A, Urban J J, Chabinyc M L, Segalman R A 2016 Nat. Rev. Mater. 1 16050 Google Scholar
[59]	Zhang F, Zang Y, Huang D, Di C A, Gao X, Sirringhaus H, Zhu D 2015 Adv. Funct. Mater. 25 3004 Google Scholar
[60]	Zhang F, Zang Y, Huang D, Di C A, Zhu D 2015 Nat. Commun. 6 8356 Google Scholar
[61]	Xie F, Chen K Q, Peng X F, Wang Y G, Zhang Z H 2010 Phys. Lett. A 374 2062 Google Scholar
[62]	Cui L, Hur S, Akbar Z A, Klockner J C, Jeong W, Pauly F, Jang S Y, Reddy P, Meyhofer E 2019 Nature 572 628 Google Scholar
[63]	Lee W, Kim K, Jeong W, Angela Zotti L, Pauly F, Carlos Cuevas J, Reddy P 2013 Nature 498 209 Google Scholar
[64]	Gehring P, Sowa J K, Hsu C, et al. 2021 Nat. Nanotechnol. 16 426 Google Scholar
[65]	Almughathawi R, Hou S, Wu Q, Liu Z, Hong W, Lambert C 2021 ACS Sens. 6 470 Google Scholar
[66]	Lambert C J, Sadeghi H, Al-Galiby Q H 2016 C. R. Phys. 17 1084 Google Scholar
[67]	Strange M, Seldenthuis J S, Verzijl C J O, Thijssen J M, Solomon G C 2015 J. Chem. Phys. 142 084703 Google Scholar
[68]	Sadeghi H 2019 J. Phys. Chem. C 123 12556 Google Scholar
[69]	Miao R, Xu H, Skripnik M, et al. 2018 Nano Lett. 18 5666 Google Scholar
[70]	Grace I M, Olsen G, Hurtado-Gallego J, et al. 2020 Nanoscale 12 14682 Google Scholar
[71]	Rai D, Galperin M 2012 Phys. Rev. B 86 045420 Google Scholar
[72]	Chen K W, Su Y H, Chen S H, Chen C L, Chang C R 2013 Phys. Rev. B 88 035443 Google Scholar
[73]	Pal A N, Li D, Sarkar S, Chakrabarti S, Vilan A, Kronik L, Smogunov A, Tal O 2019 Nat. Commun. 10 5565 Google Scholar
[74]	Zhang Y P, Chen L C, Zhang Z Q, et al. 2018 J. Am. Chem. Soc. 140 6531 Google Scholar
[75]	Baghernejad M, van Dyck C, Bergfield J, et al. 2019 Chem. Eur. J 25 15141 Google Scholar
[76]	Roura-Bas P, Tosi L, Aligia A A, Hallberg K 2011 Phys. Rev. B 84 073406 Google Scholar
[77]	Mitchell A K, Pedersen K G L, Hedegard P, Paaske J 2017 Nat. Commun. 8 15210 Google Scholar

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Vol. 71, Issue 6 - 2022-03-20

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