Quantum Interference in Acyclic Molecules

Charge and Exciton Transport through Molecular Wires

Volumn , Issue , 2011, Pages 17-59

  Solomon, Gemma C ^a   Andrews, David Q ^b   Ratner, Mark A ^c  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b Environmental Working Group   (United States)

^c NORTHWESTERN UNIVERSITY   (United States)

Author keywords

Cross conjugated molecules; Highest occupied molecular orbital (HOMO); Lowest unoccupied molecular orbital (LUMO); Molecular wires; Proximate resonance barrier tunneling (PRBT) model; Quantum interference effects

Indexed keywords

EID: 84885499167     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527633074.ch2     Document Type: Chapter

References (144)

1. Atomistix toolkit version 2.0.4. Atomistix A/S (www.atomistix.com).
2. Aharonov, Y. and Bohm, D. (1959) Significance of electromagnetic potentials in the quantum theory. Phys. Rev., 115(3), 485.
3. Akkerman, H. B., Blom, P. W. M., de Leeuw, D. M. and Boer, B. (2006) Towards molecular electronics with large-area molecular junctions. Nature, 441(7089), 69.
4. Akkerman, H. B., Naber, R. C. G., Jongbloed, B., van Hal, P. A., Blom, P. W. M., de Leeuw, D. M. and Boer, B. (2007) Electron tunneling through alkanedithiol self-assembled monolayers in large-area molecular junctions. PNAS, 104(27), 11161.
5. Albrecht, T., Guckian, A., Ulstrup, J. and Vos, J. G. (2005) Transistor effects and in situ stm of redox molecules at room temperature. Nanotechnol. IEEE Transact., 4(4), 430.
6. Andrews, D. Q., Solomon, G. C., Goldsmith, R. H., Hansen, T., Wasielewski, M. R., Van Duyne, R. P. and Ratner, M. A. (2008) Quantum interference: the structural dependence of electron transmission through model systems and cross-conjugated molecules. J. Phys. Chem. C, 112(43), 16991.
7. Andrews, D. Q., Solomon, G. C., Van Duyne, R. P. and Ratner, M. A. (2008) Single molecule electronics: increasing dynamic range and switching speed using cross-conjugated species. J. Am. Chem. Soc., 130(51), 17309.
8. Andrews, D. Q., Van Duyne, R. P. and Ratner, M. A. (2008) Stochastic modulation in molecular electronic transport junctions: molecular dynamics coupled with charge transport calculations. Nano Lett., 8(4), 1120.
9. Armstrong, N., Hoft, R. C., McDonagh, A., Cortie, M. B. and Ford, M. J. (2007) Exploring the performance of molecular rectifiers: limitations and factors affecting molecular rectification. Nano Lett., 7(10), 3018.
10. Aronov, A. G. and Sharvin, Yu. V. (1987) Magnetic flux effects in disordered conductors. Rev. Mod. Phys., 59(3), 755.
11. Ashwell, G. J., Urasinska, B., Wang, C., Bryce, M. R., Grace, I. and Lambert, C. J. (2006) Single-molecule electrical studies on a 7nm long molecular wire. Chem. Commun., (45), 4706.
12. Aviram, A. and Ratner, M. A. (1974) Molecular rectifiers. Chem. Phys. Lett., 29(2), 277.
13. Bachtold, A., Strunk, C., Salvetat, J.-P., Bonard, J.-M., Forro, L., Nussbaumer, T. and Schonenberger, C. (1999) Aharonov-Bohm oscillations in carbon nanotubes. Nature, 397(6721), 673.
14. Becke, A. D. (1993) Density-functional thermochemistry. iii. the role of exact exchange. J. Chem. Phys., 98, 5648.
15. Bilic, A., Reimers, J. R. and Hush, N. S. (2005) The structure, energetics, and nature of the chemical bonding of phenylthiol adsorbed on the Au(111) surface: implications for density-functional calculations of molecular-electronic conduction. J. Chem. Phys., 122(9), 094708.
16. Boldi, A. M., Anthony, J., Gramlich, V., Knobler, C. B., Boudon, C., Gisselbrecht, J. P., Gross, M. and Diederich, F. (1995) Acyclic tetraethynylethene molecular scaffolding -multinanometer-sized linearly conjugated rods with the poly(triacetylene) backbone and cross-conjugated expanded dendralenes. Helv. Chim. Acta, 78(4), 779.
17. Borden, W. T. and Davidson, E. R. (1977) Effects of electron repulsion in conjugated hydrocarbon diradicals. J. Am. Chem. Soc., 99(14), 4587.
18. Brandbyge, M., Mozos, J.-L., Ordejón, P., Taylor, J. and Stokbro, K. (2002) Density-functional method for nonequilibrium electron transport. Phys. Rev. B, 65(16), 165401.
19. Bruschi, M., Giuffreda, M. G. and Luthi, H. P. (2002) trans versus geminal electron delocalization in tetraand diethynylethenes: a new method of analysis. Chem. Eur. J., 8(18), 4216.
20. Bruschi, M., Giuffreda, M. G. and Luthi, H. P. (2005) Through versus cross electron delocalization in polytriacetylene oligomers: a computational analysis. ChemPhysChem., 6(3), 511.
21. Bruus, H. and Flensberg, K. (2004) Many-Body Quantum Theory in Condensed Matter Physics: An Introduction, Oxford University Press, USA.
22. Cardamone, D. M., Stafford, C. A. and Mazumdar, S. (2006) Controlling quantum transport through a single molecule. Nano Lett., 6(11), 2422.
23. Chakrabarti, A. (2006) Electronic transmission in a model quantum wire with side-coupled quasiperiodic chains: Fano resonance and related issues. Phys. Rev. B, 74(20), 205315.
24. Chen, F., He, J., Nuckolls, C., Roberts, T., Klare, J. E. and Lindsay, S. (2005) A molecular switch based on potential-induced changes of oxidation state. Nano Lett., 5(3), 503.
25. Collepardo-Guevara, R., Walter, D., Neuhauser, D. and Baer, R. (2004) A Hückel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire. Chem. Phys. Lett., 393(4-6), 367.
26. Coulson, C. A. and Rushbrooke, G. S. (1940) Proc. Camb. Phil. Soc., 36, 1931.
27. Dadosh, T., Gordin, Y., Krahne, R., Khivrich, I., Mahalu, D., Frydman, V., Sperling, J., Yacoby, A. and Bar-Joseph, I. (2005) Measurement of the conductance of single conjugated molecules. Nature, 436(7051), 677.
28. Danilov, A., Kubatkin, S., Kafanov, S., Hedegard, P., Stuhr-Hansen, N., Moth-Poulsen, K. and Bjornholm, T. (2008) Electronic transport in single molecule junctions: control of the molecule-electrode coupling through intramolecular tunneling barriers. Nano Lett., 8(1), 1.
29. Danilov, A. V., Kubatkin, S. E., Kafanov, S. G. and Bjornholm, T. (2006) Strong electronic coupling between single C60 molecules and gold electrodes prepared by quench condensation at 4 K. A single molecule three terminal device study. Faraday Discuss., 131, 337.
30. Datta, S. (1989) Quantum devices. Superlattices Microstruct., 6(1), 83.
31. Datta, S. (2005) Quantum Transport: Atom to Transistor, Cambridge University Press, Cambridge.
32. Datta, S. (1997) Electronic Transport in Mesoscopic Systems, Cambridge University Press, Cambridge.
33. Davis, W. B., Wasielewski, M. R., Ratner, M. A., Mujica, V. and Nitzan, A. (1997) Electron transfer rates in bridged molecular systems: a phenomenological approach to relaxation. J. Phys. Chem. A, 101(35), 6158.
34. Ladron de Guevara, M. L. and Orellana, P. A. (2006) Electronic transport through a parallel-coupled triple quantum dot molecule: Fano resonances and bound states in the continuum. Phys. Rev. B, 73(20), 205303.
35. Elbing, M., Ochs, R., Koentopp, M., Fischer, M., Hanisch, C., Weigend, F., Evers, F., Weber, H. B. and Mayor, M. (2005) Molecular electronics special eature: a single-molecule diode. PNAS, 102(25), 8815.
36. Elstner, M., Porezag, D., Jugnickel, G., Elsner, J., Haugk, M., Frauenheim, T., Suhai, S. and Seifert, G. (1998) Self-consistent-charge densityfunctional tight-binding method for simulations of complex materials properties. Phys. Rev. B, 58, 7260.
37. Ernzerhof, M., Bahmann, H., Goyer, F., Zhuang, M. and Rocheleau, P. (2006) Electron transmission through aromatic molecules. J. Chem. Theory Comput., 2(5), 1291.
38. Ernzerhof, M., Zhuang, M. and Rocheleau, P. (2005) Side-chain effects in molecular electronic devices. J. Chem. Phys., 123(13), 134704.
39. Flood, A. H., Stoddart, J. F., Steuerman, D. W. and Heath, J. R. (2004) Chemistry: enhanced: whence molecular electronics?. Science, 306(5704), 2055.
40. Galperin, M., Ratner, M. A. and Nitzan, A. (2007) Molecular transport junctions: vibrational effects. J. Phys. Condens. Matter, 19(10), 103201.
41. Galperin, M., Ratner, M. A., Nitzan, A. and Troisi, A. (2008) Nuclear coupling and polarization in molecular transport junctions: beyond tunneling to function. Science, 319(5866), 1056.
42. Gholami, M. and Tykwinski, R. R. (2006) Oligomeric and polymeric systems with a cross-conjugated framework. Chem. Rev., 106(12), 4997.
43. Giuffreda, M. G., Bruschi, M. and Lüthi, H. P. (2004) Electron delocalization in linearly conjugated systems: a concept for quantitative analysis. Chem. Eur. J., 10(22), 5671.
44. Goldsmith, R. H., Wasielewski, M. R. and Ratner, M. A. (2006) Electron transfer in multiply bridged donor-acceptor molecules: dephasing and quantum coherence. J. Phys. Chem. B, 110(41), 20258.
45. Goldsmith, R. H., Wasielewski, M. R. and Ratner, M. A. (2007) Scaling laws for charge transfer in multiply bridged donor/acceptor molecules in a dissipative environment. J. Am. Chem. Soc., 129(43), 13066.
46. Goyer, F., Ernzerhof, M. and Zhuang, M. (2007) Source and sink potentials for the description of open systems with a stationary current passing through. J. Chem. Phys., 126(14), 144104.
47. Grave, C., Risko, C., Shaporenko, A., Wang, Y., Nuckolls, C., Ratner, M. A., Rampi, M. A. and Zharnikov, M. (2007) Charge transport through oligoarylene self-assembled monolayers:interplay of molecular organization, metal-molecule interactions, and lectronic structure. Adv. Funct. Mater., 17(18), 3816.
48. Guisinger, N. P., Basu, R., Greene, M. E., Baluch, A. S. and Hersam, M. C. (2004) Observed suppression of room temperature negative differential resistance in organic monolayers on si(100). Nanotechnology, 15(7), S452.
49. Guisinger, N. P., Greene, M. E., Basu, R., Baluch, A. S. and Hersam, M. C. (2004) Room temperature negative differential resistance through individual organic molecules on silicon surfaces. Nano Lett., 4(1), 55.
50. Hall, L. E., Reimers, J. R., Hush, N. S. and Silverbrook, K. (2000) Formalism, analytical model, and a priori Green's-function-based calculations of the current-voltage characteristics of molecular wires. J. Chem. Phys., 112(3), 1510.
51. He, J., Chen, F., Liddell, P. A., Andrasson, J., Straight, S. D., Gust, D., Moore, T. A., Moore, A. L., Li, J., Sankey, O. F. and Lindsay, S. M. (2005) Switching of a photochromic molecule on gold electrodes: single-molecule measurements. Nanotechnology, 16(6), 695.
52. Hush, N. S. http://www.physics.uq.edu.au/cmp-workshop/forms/hush.ppt, 2006.
53. Itakura, K., Yuki, K., Kurokawa, S., Yasuda, H. and Sakai, A. (1999) Bias dependence of the conductance of Au nanocontacts. Phys. Rev. B, 60(15), 11163.
54. Joachim, C., Gimzewski, J. K. and Aviram, A. (2000) Electronics using hybrid-molecular and mono-molecular devices. Nature, 408(6812), 541.
55. Joachim, C. and Ratner, M. A. (2005) Molecular electronics special feature: molecular electronics: some views on transport junctions and beyond. PNAS, 102(25), 8801.
56. Kalyanaraman, C. and Evans, D. G. (2002) Molecular conductance of dendritic wires. Nano Lett., 2(5), 437.
57. Kubatkin, S., Danilov, A., Hjort, M., Cornil, J., Bredas, J.-L., Stuhr-Hansen, N., Hedegard, P. and Bjornholm, T. (2003) Single-electron transistor of a single organic molecule with access to several redox states. Nature, 425(6959), 698.
58. Kushmerick, J. G., Lazorcik, J., Patterson, C. H., Shashidhar, R., Seferos, D. S. and Bazan, G. C. (2004) Vibronic contributions to charge transport across molecular junctions. Nano Lett., 4(4), 639.
59. Landauer, R. (1957) IBM J. Res. Dev., 1, 223.
60. Landauer, R. (1970) Electrical resistance of disordered one-dimensional lattices. Phil. Mag., 21(172), 863.
61. Lee, C., Yang, W. and Parr, R. G. (1988) Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B, 37, 785.
62. Lee, H. W. (1999) Generic transmission zeros and in-phase resonances in time-reversal symmetric single channel transport. Phys. Rev. Lett., 82(11), 2358.
63. Leggett, A. J., Chakravarty, S., Dorsey, A. T., Fisher, M. P. A., Garg, A. and Zwerger, W. (1987) Dynamics of the dissipative two-state system. Rev. Mod. Phys., 59(1), 1.
64. Li, X., Xu, B., Xiao, X., Yang, X., Zang, L. and Tao, N. (2006) Controlling charge transport in single molecules using electrochemical gate. Faraday Discuss., 131, 111.
65. Liang, W., Shores, M. P., Bockrath, M., Long, J. R. and Park, H. (2002) Kondo resonance in a single-molecule transistor. Nature, 417(6890), 725.
66. Liljeroth, P., Repp, J. and Meyer, G. (2007) Current-induced hydrogen tautomerization and conductance switching of naphthalocyanine molecules. Science, 317(5842), 1203.
67. Loppacher, Ch, Guggisberg, M., Pfeiffer, O., Meyer, E., Bammerlin, M., LÃ . . . thi, R., Schlittler, R., Gimzewski, J. K., Tang, H. and Joachim, C. (2003) Direct determination of the energy required to operate a single molecule switch. Phys. Rev. Lett., 90(6), 066107.
68. Maiti, S. K. (2007) Quantum transport through polycyclic hydrocarbon molecules. Phys. Lett. A, 366(1-2), 114.
69. Mallion, R. B. and Rouvray, D. H. (1990) The golden jubilee of the Coulson-Rushbrooke pairing theorem. J. Math. Chem., 5(1), 1.
70. Mayor, M., Weber, H. B., Reichert, J., Elbing, M., von Hänisch, C., Beckmann, D. and Fischer, M. (2003) Electric current through a molecular rod -relevance of the position of the anchor groups. Angew. Chem. Int. Ed., 42(47), 5834.
71. McWeeny, R. (1979) Coulson's Valence, 3rd edition, Oxford University Press, Oxford.
72. Metzger, R. M. (2003) Unimolecular electrical rectifiers. Chem. Rev., 103(9), 3803.
73. Metzger, R. M., Chen, B., Hopfner, U., Lakshmikantham, M. V., Vuillaume, D., Kawai, T., Wu, X., Tachibana, H., Hughes, T. V., Sakurai, H., Baldwin, J. W., Hosch, C., Cava, M. P., Brehmer, L. and Ashwell, G. J. (1997) Unimolecular electrical rectification in hexadecylquinolinium tricyanoquinodimethanide. J. Am. Chem. Soc., 119(43), 10455.
74. Metzger, R. M. (2006) Unimolecular rectifiers: present status. Chem. Phys., 326(1), 176.
75. Miller, O. D., Muralidharan, B., Kapur, N. and Ghosh, A. W. (2008) Rectification by charging: contact-induced current asymmetry in molecular conductors. Phys. Rev. B, 77(12), 125427.
76. Moonen, N. N. P., Pomerantz, W. C., Gist, R., Boudon, C., Gisselbrecht, J. P., Kawai, T., Kishioka, A., Gross, M., Irie, M. and Diederich, F. (2005) Donor-substituted cyanoethynylethenes: pi-conjugation and band-gap tuning in strong charge-transfer chromophores. Chem. Eur. J., 11(11), 3325.
77. Moresco, F., Meyer, G., Rieder, K.-H., Tang, H., Gourdon, A. and Joachim, C. (2001) Conformational changes of single molecules induced by scanning tunneling microscopy manipulation: a route to molecular switching. Phys. Rev. Lett., 86(4), 672.
78. Mujica, V., Kemp, M., Roitberg, A. and Ratner, M. (1996) Current-voltage characteristics of molecular wires: eigenvalue staircase, coulomb blockade, and rectification. J. Chem. Phys., 104(18), 7296.
79. Mujica, V., Ratner, M. A. and Nitzan, A. (2002) Molecular rectification: why is it so rare?. Chem. Phys., 281(2-3), 147.
80. Nielsen, M. B., Schreiber, M., Baek, Y. G., Seiler, P., Lecomte, S., Boudon, C., Tykwinski, R. R., Gisselbrecht, J. P., Gramlich, V., Skinner, P. J., Bosshard, C., Gunter, P., Gross, M. and Diederich, F. (2001) Highly functionalized dimeric tetraethynylethenes and expanded radialenes: strong evidence for macrocyclic cross-conjugation. Chem. Eur. J., 7(15), 3263.
81. Nitzan, A. (2001) Electron transmission through molecules and molecular interfaces. Annu. Rev. Phys. Chem., 52(1), 681.
82. Ohnishi, H. and Takayanagi, K. (1998) Quantized conductance through individual rows of suspended gold atoms. Nature (London), 395(6704), 780.
83. Park, J., Pasupathy, A. N., Goldsmith, J. I., Chang, C., Yaish, Y., Petta, J. R., Rinkoski, M., Sethna, J. P., Abruna, H. D., McEuen, P. L. and Ralph, D. C. (2002) Coulomb blockade and the Kondo effect in single-atom transistors. Nature, 417(6890), 722.
84. Patoux, C., Coudret, C., Launay, J. P., Joachim, C. and Gourdon, A. (1997) Topological effects on intramolecular electron transfer via quantum interference. Inorg. Chem., 36(22), 5037.
85. Pecchia, A. and Carlo, A. Di. (2004) Atomistic theory of transport in organic and inorganic nanostructures. Rep. Prog. Phys., 67(8), 1497.
86. Phelan, N. F. and Orchin, M. (1968) Cross conjugation. J. Chem. Educ., 45(10), 633.
87. Pobelov, I. V., Li, Z. and Wandlowski, T. (2008) Electrolyte gating in redox-active tunneling junctions: an electrochemical stm approach. J. Am. Chem. Soc., 130(47), 16045.
88. Ponder, J. W. (2004) Tinker -Software Tools for Molecular Design, 4.2 edition, Washington University School of Medicine, St. Louis, MO.
89. Porezag, D., Frauenheim, T., Kohler, T., Seifert, G. and Kaschner, R. (1995) Construction of tight-binding-like potentials on the basis of density-functional theory: application to carbon. Phys. Rev. B, 51, 12947.
90. Reichert, J., Ochs, R., Beckmann, D., Weber, H. B., Mayor, M. and Löhneysen, H. V (2002) Driving current through single organic molecules. Phys. Rev. Lett., 88(17), 176804.
91. Reimers, J. R., Hall, L. E., Crossley, M. J. and Hush, N. S. (1999) Rigid fused oligoporphyrins as potential versatile molecular wires. 2. b3lyp and scf calculated geometric and electronic properties of 98 oligoporphyrin and related molecules. J. Phys. Chem. A, 103(22), 4385.
92. Richardson, D. E. and Taube, H. (1983) Electronic interactions in mixed-valence molecules as mediated by organic bridging groups. J. Am. Chem. Soc., 105(1), 40.
93. Salem, L. (1966) The molecular orbital theory of conjugated systems., W. A. Benjamin, New York.
94. Salomon, A., Boecking, T., Chan, C. K., Amy, F., Girshevitz, O., Cahen, D. and Kahn, A. (2005) How do electronic carriers cross Si-bound alkyl monolayers?. Phys. Rev. Lett., 95(26), 266807.
95. Sautet, P. and Joachim, C. (1988) Electronic interference produced by a benzene embedded in a polyacetylene chain. Chem. Phys. Lett., 153(6), 511.
96. Scott, G. D., Chichak, K. S., Peters, A. J., Cantrill, S. J., Stoddart, J. F. and Jiang, H. W. (2006) Mechanism of enhanced rectification in unimolecular Borromean ring devices. Phys. Rev. B, 74(11), 113404.
97. Segal, D. and Nitzan, A. (2001) Steady-state quantum mechanics of thermally relaxing systems. Chem. Phys., 268(1-3), 315.
98. Shangguan, W. Z., Au Yeung, T. C., Yu, Y. B. and Kam, C. H. (2001) Quantum transport in a one-dimensional quantum dot array. Phys. Rev. B, 63(23), 235323.
99. Shao, Y., Molnar, L. F., Jung, Y., Kussmann, J., Ochsenfeld, C., Brown, S. T., Gilbert, A. T. B., Slipchenko, L. V., Levchenko, S. V., O'Neill, D. P., DiStasio Jr, R. A., Lochan, R. C., Wang, T., Beran, G. J. O., Besley, N. A., Herbert, J. M., Lin, C. Y., Voorhis, T. V., Chien, S. H., Ryan, A. S., Steele, P., Rassolov, V. A., Maslen, P. E., Korambath, P. P., Adamson, R. D., Austin, B., Baker, J., Byrd, E. F. C., Dachsel, H., Doerksen, R. J., Dreuw, A., Dunietz, B. D., Dutoi, A. D., Furlani, T. R., Gwaltney, S. R., Heyden, A., Hirata, So, Hsu, C.-P., Kedziora, G., Khalliulin, R. Z., Klunzinger, P., Lee, A. M., Lee, M. S., Liang, W. Z., Lotan, I., Nair, N., Peters, B., Proynov, E. I., Pieniazek, P. A., Rhee, Y. M., Ritchie, J., Rosta, E., Sherrill, C. D., Simmonett, A. C., Subotnik, J. E., Woodcock Iii, H. L., Zhang, W., Bell, A. T. and Chakraborty, A. K. (2006) Advances in methods and algorithms in a modern quantum chemistry program package. Phys. Chem. Chem. Phys., 8(27), 3172.
100. Siddarth, P. and Marcus, R. A. (1992) Calculation of electron-transfer matrix elements of bridged systems using a molecular fragment approach. J. Phys. Chem., 96(8), 3213.
101. Skinner, J. L. and Hsu, D. (1986) Pure dephasing of a two-level system. J. Phys. Chem., 90(21), 4931.
102. Soler, J. M., Artacho, E., Gale, J. D., Garcia, A., Junquera, J., Ordejón, P. and Sanchez-Portal, D. (2002) The siesta method for ab initio order-n materials simulation. J. Phys.: Condens. Matter, 14(11), 2745.
103. Solomon, G. C., Gagliardi, A., Pecchia, A., Frauenheim, T., DiCarlo, A., Reimers, J. R. and Hush, N. S. (2006) Molecular origins of conduction channels observed in shot-noise measurements. Nano Lett., 6(11), 2431.
104. Solomon, G. C., Andrews, D. Q., Van Duyne, R. P. and Ratner, M. A. (2009) Electron transport through conjugated molecules: when the pi system only tells part of the story. ChemPhysChem, 10(1), 257.
105. Solomon, G. C., Andrews, D. Q., Goldsmith, R. H., Hansen, T., Wasielewski, M. R., Van Duyne, R. P. and Ratner, M. A. (2008) Quantum interference in acyclic systems: conductance of cross-conjugated molecules. J. Am. Chem. Soc., 130(51), 17301.
106. Solomon, G. C., Andrews, D. Q., Hansen, T., Goldsmith, R. H., Wasielewski, M. R., Van Duyne, R. P. and Ratner, M. A. (2008) Understanding uantum interference in coherent molecular conduction. J. Chem. Phys., 129(5), 054701.
107. Solomon, G. C., Andrews, D. Q., Van Duyne, R. P. and Ratner, M. A. (2008) When things are not as they seem: quantum interference turns molecular electron transfer ''rules'' upside down. J. Am. Chem. Soc., 130(25), 7788.
108. Solomon, G. C., Gagliardi, A., Pecchia, A., Frauenheim, T., Carlo, A. D., Reimers, J. R. and Hush, N. S. (2006) The symmetry of single-molecule conduction. J. Chem. Phys., 125(18), 184702.
109. Sols, F., Macucci, M., Ravaioli, U. and Hess, K. (1989) On the possibility of transistor action based on quantum interference phenomena. Appl. Phys. Lett., 54(4), 350.
110. Sordan, R. and Nikolic, K. (1996) The nonlinear transport regime of a T-shaped quantum interferencetransistor. Appl. Phys. Lett., 68(25), 3599.
111. Stafford, C. A., Cardamone, D. M. and Mazumdar, S. (2007) The quantum interference effect transistor. Nanotechnology, 18(42), 424014.
112. Stipe, B. C., Rezaei, M. A. and Ho, W. (1998) Single-molecule vibrational spectroscopy and microscopy. Science, 280(5370), 1732.
113. Stokbro, K., Taylor, J. and Brandbyge, M. (2003) Do Aviram-Ratner diodes rectify?. J. Am. Chem. Soc., 125(13), 3674.
114. Stokbro, K., Taylor, J., Brandbyge, M. and Ordejón, P. (2003) Transiesta: a spice for molecular electronics. Ann. N.Y. Acad. Sci., 1006, 212. Molecular Electronics III):
115. Douglas Stone, A. (1985) Magnetoresistance fluctuations in mesoscopic wires and rings. Phys. Rev. Lett., 54(25), 2692.
116. Tao, N. (2005) Measurement and control of single molecule conductance. J. Mater. Chem., 15(32), 3260.
117. Taylor, J., Guo, H. and Wang, J. (2001) Ab initio modeling of quantum transport properties of molecular electronic devices. Phys. Rev. B, 63(24), 245407.
118. Tian, W., Datta, S., Hong, S., Reifenberger, R., Henderson, J. I. and Kubiak, C. P. (1998) Conductance spectra of molecular wires. J. Chem. Phys., 109(7), 2874.
119. Todorov, T. N. (2002) Tight-binding simulation of current-carrying nanostructures. J. Phys.: Condens. Matter, 14(11), 3049.
120. Troisi, A. and Ratner, M. A. (2004) Conformational molecular rectifiers. Nano Lett., 4(4), 591.
121. Tykwinski, R. R. and Zhao, Y. (2002) Cross-conjugated oligo(enynes). Synlett, 2002(12), 1939.
122. van der Veen, M. H., Rispens, M. T., Jonkman, H. T. and Hummelen, J. C. (2004) Molecules with linear π-conjugated pathways between all substituents: omniconjugation. Adv. Funct. Mater., 14(3), 215.
123. van der Zant, H. S. J., Kervennic, Y.-V., Poot, M., O'Neill, K., Groot, Z., Thijssen, J. M., Heersche, H. B., Stuhr-Hansen, N., Bjornholm, T., Vanmaekelbergh, D., van Walree, C. A. and Jenneskens, L. W. (2006) Molecular three-terminal devices: fabrication and measurements. Faraday Discuss., 131, 347.
124. van Walree, C. A., Kaats-Richters, V. E. M., Veen, S. J., Wieczorek, B., van der Wiel, J. H. and van der Wiel, B. C. (2004) Charge-transfer interactions in 4-donor 4'-acceptor substituted 1,1-diphenylethenes. Eur. J. Org. Chem., 2004(14), 3046.
125. Venkataraman, L., Klare, J. E., Nuckolls, C., Hybertsen, M. S. and Steigerwald, M. L. (2006) Dependence of single-molecule junction conductance on molecular conformation. Nature, 442(7105), 904.
126. Walczak, K. (2004) The role of quantum interference in determining transport properties of molecular bridges. Central Eur. J. Chem., 2(3), 524.
127. Walter, D., Neuhauser, D. and Baer, R. (2004) Quantum interference in polycyclic hydrocarbon molecular wires. Chem. Phys., 299(1), 139.
128. Wang, W., Lee, T., Kretzschmar, I. and Reed, M. A. (2004) Inelastic electron tunneling spectroscopy of an alkanedithiol self-assembled monolayer. Nano Lett., 4(4), 643.
129. Wang, W., Lee, T. and Reed, M. A. (2003) Mechanism of electron conduction in self-assembled alkanethiol monolayer devices. Phys. Rev. B, 68(3), 035416.
130. Webb, R. A., Washburn, S., Umbach, C. P. and Laibowitz, R. B. (1985) Observation of he Aharonov-Bohm oscillations in normal-metal rings. Phys. Rev. Lett., 54(25), 2696.
131. Xu, B. and Tao, N. J. (2003) Measurement of single-molecule resistance by repeated formation of molecular junctions. Science, 301(5637), 1221.
132. Xue, Y., Datta, S. and Ratner, M. A. (2002) First-principles based matrix Green's function approach to molecular electronic devices: general formalism. Chem. Phys., 281(2-3), 151.
133. Yaliraki, S. N. and Ratner, M. A. (2002) Interplay of topology and chemical stability on the electronic transport of molecular junctions. Ann. N.Y. Acad. Sci., 960(1), 153.
134. Yanson, A. I., Rubio Bollinger, G., van den Brom, H. E., Agrait, N. and van Ruitenbeek, J. M. (1998) Formation and manipulation of a metallic wire of single gold atoms. Nature, 395(6704), 783.
135. Yasuda, H. and Sakai, A. (1997) Conductance of atomic-scale gold contacts under high-bias voltages. Phys. Rev. B, 56(3), 1069.
136. Yu, L. H. and Natelson, D. (2004) Transport in single-molecule transistors: Kondo physics and negative differential resistance. Nanotechnology, 15(10), S517.
137. Zahid, F., Paulsson, M. and Datta, S. In Morkoc, H., editor, Advanced Semiconductor and Organic Nano-Techniques, volume 3, page 1. Academic Press, New York, 2003.
138. Zahid, F., Paulsson, M., Polizzi, E., Ghosh, A. W., Siddiqui, L. and Datta, S. (2005) A self-consistent transport model for molecular conduction based on extended Hückel theory with full three-dimensional electrostatics. J. Chem. Phys., 123(6), 064707.
139. Zahid, F., Paulsson, M., Polizzi, E., Ghosh, A. W., Siddiqui, L. and Datta, S. (2005) A self-consistent transport model for molecular conduction based on extended Hückel theory with full three-dimensional electrostatics. J. Chem. Phys., 123(6), 064707.
140. Zahid, F., Paulsson, M. and Datta, S. (2003) Electrical conduction through molecules in Advanced Semiconductors and Organic Nano-Techniques Part III: Physics and Technology of Molecular and Biotech Systems, H., Morkoc (ed) Elsevier Academic Press, pp. 1. In editor, volume III, pageCAN 140:431824 76-0 Electric Phenomena Purdue University, West Lafayette, IN, USA. Conference; General Review written in English.
141. Zhang, C., He, Y., Cheng, H.-P., Xue, Y., Ratner, M. A., Zhang, X. G. and Krstic, P. (2006) Current-voltage characteristics through a single light-sensitive molecule. Phys. Rev. B, 73(12), 125445.
142. Zheng, T., Jia, H., Wallace, R. M. and Gnade, B. E. (2006) Characterization of conductance under finite bias for a self-assembled monolayer coated au quantized point contact. Appl. Surf. Sci., 253(3), 1265.
143. Zheng, Y., Lu, T., Zhang, C. and Su, W. (2004) Antiresonance of electron tunneling through a quantum dot array. Physica E: Low-dimensional Systems and Nanostructures, 24(3-4), 290.
144. Zhitenev, N. B., Meng, H. and Bao, Z. (2002) Conductance of small molecular junctions. Phys. Rev. Lett., 88(22), 226801.