-
1
-
-
33947272067
-
-
10.1038/nnano.2006.130
-
N. J. Tao, Nat. Nanotechnol. 1, 173 (2006). 10.1038/nnano.2006.130
-
(2006)
Nat. Nanotechnol.
, vol.1
, pp. 173
-
-
Tao, N.J.1
-
3
-
-
51349121405
-
-
10.1038/nnano.2008.237
-
S. Wu, M. T. Gonzlez, R. Huber, S. Grunder, M. Mayor, C. Schönenberger, and M. Calame, Nat. Nanotechnol. 3, 569 (2008). 10.1038/nnano.2008.237
-
(2008)
Nat. Nanotechnol.
, vol.3
, pp. 569
-
-
Wu, S.1
Gonzlez, M.T.2
Huber, R.3
Grunder, S.4
Mayor, M.5
Schönenberger, C.6
Calame, M.7
-
4
-
-
77954253363
-
-
10.1021/ja103327f
-
S. Martn, I. Grace, M. R. Bryce, C. Wang, R. Jitchati, A. S. Batsanov, S. J. Higgins, C. J. Lambert, and R. J. Nichols, J. Am. Chem. Soc. 132, 9157 (2010). 10.1021/ja103327f
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 9157
-
-
Martn, S.1
Grace, I.2
Bryce, M.R.3
Wang, C.4
Jitchati, R.5
Batsanov, A.S.6
Higgins, S.J.7
Lambert, C.J.8
Nichols, R.J.9
-
5
-
-
68749118228
-
-
10.1021/jp900908w
-
L. Lin, J. Leng, X. Song, Z. Li, Y. Luo, and C. Wang, J. Phys. Chem. C 113, 14474 (2009). 10.1021/jp900908w
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 14474
-
-
Lin, L.1
Leng, J.2
Song, X.3
Li, Z.4
Luo, Y.5
Wang, C.6
-
6
-
-
77956927461
-
-
10.1088/0953-8984/22/32/325102
-
L. Lin, X. Song, Y. Luo, and C. Wang, J. Phys.: Condens. Matter 22, 325102 (2010). 10.1088/0953-8984/22/32/325102
-
(2010)
J. Phys.: Condens. Matter
, vol.22
, pp. 325102
-
-
Lin, L.1
Song, X.2
Luo, Y.3
Wang, C.4
-
7
-
-
77953300360
-
-
10.1021/ja102434m
-
G. C. Solomon, C. Herrmann, J. Vura-Weis, M. R. Wasielewski, and M. A. Ratner, J. Am. Chem. Soc. 132, 7887 (2010). 10.1021/ja102434m
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 7887
-
-
Solomon, G.C.1
Herrmann, C.2
Vura-Weis, J.3
Wasielewski, M.R.4
Ratner, M.A.5
-
8
-
-
78650131143
-
-
10.1021/jp103110h
-
G. C. Solomon, J. Vura-Weis, C. Herrmann, M. R. Wasielewski, and M. A. Ratner, J. Phys. Chem. B 114, 14735 (2010). 10.1021/jp103110h
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 14735
-
-
Solomon, G.C.1
Vura-Weis, J.2
Herrmann, C.3
Wasielewski, M.R.4
Ratner, M.A.5
-
9
-
-
21144451419
-
Probing π-coupling in molecular junctions
-
DOI 10.1073/pnas.0500002102
-
D. S. Seferos, S. A. Trammell, G. C. Bazan, and J. G. Kushmerick, Proc. Natl. Acad. Sci. U.S.A. 102, 8821 (2005). 10.1073/pnas.0500002102 (Pubitemid 40881037)
-
(2005)
Proceedings of the National Academy of Sciences of the United States of America
, vol.102
, Issue.25
, pp. 8821-8825
-
-
Seferos, D.S.1
Trammell, S.A.2
Bazan, G.C.3
Kushmerick, J.G.4
-
10
-
-
33748079160
-
Single-molecule charge-transport measurements that reveal technique-dependent perturbations
-
DOI 10.1021/ja062898j
-
D. S. Seferos, A. S. Blum, J. G. Kushmerick, and G. C. Bazan, J. Am. Chem. Soc. 128, 11260 (2006). 10.1021/ja062898j (Pubitemid 44300136)
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.34
, pp. 11260-11267
-
-
Seferos, D.S.1
Blum, A.S.2
Kushmerick, J.G.3
Bazan, G.C.4
-
11
-
-
79951838509
-
-
10.1021/ja111320n
-
S. T. Schneebeli, M. Kamenetska, Z. Cheng, R. Skouta, R. A. Friesner, L. Venkataraman, and R. Breslow, J. Am. Chem. Soc. 133, 2136 (2011). 10.1021/ja111320n
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 2136
-
-
Schneebeli, S.T.1
Kamenetska, M.2
Cheng, Z.3
Skouta, R.4
Friesner, R.A.5
Venkataraman, L.6
Breslow, R.7
-
12
-
-
79952772110
-
-
10.1021/jp111523u
-
S. M. Bachrach, J. Phys. Chem. A 115, 2396 (2011). 10.1021/jp111523u
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 2396
-
-
Bachrach, S.M.1
-
13
-
-
3242880553
-
-
10.1002/chem.200400091
-
S. Grimme, Chem.-Eur. J. 10, 3423 (2004). 10.1002/chem.200400091
-
(2004)
Chem.-Eur. J.
, vol.10
, pp. 3423
-
-
Grimme, S.1
-
15
-
-
10644250257
-
-
10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
16
-
-
0042113153
-
-
10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
18
-
-
0037091644
-
-
10.1103/PhysRevB.65.165401
-
M. Brandbyge, J.-L. Mozos, P. Ordejn, J. Taylor, and K. Stokbro, Phys. Rev. B 65, 165401 (2002). 10.1103/PhysRevB.65.165401
-
(2002)
Phys. Rev. B
, vol.65
, pp. 165401
-
-
Brandbyge, M.1
Mozos, J.-L.2
Ordejn, P.3
Taylor, J.4
Stokbro, K.5
-
19
-
-
27944485630
-
An accurate and efficient self-consistent approach for calculating electron transport through molecular electronic devices: Including the corrections of electrodes
-
DOI 10.1088/0957-4484/16/12/055, PII S0957448405050002
-
J. Zhang, S. Hou, R. Li, Z. Qian, R. Han, Z. Shen, X. Zhao, and Z. Xue, Nanotechnology 16, 3057 (2005). 10.1088/0957-4484/16/12/055 (Pubitemid 41677074)
-
(2005)
Nanotechnology
, vol.16
, Issue.12
, pp. 3057-3063
-
-
Zhang, J.1
Hou, S.2
Li, R.3
Qian, Z.4
Han, R.5
Shen, Z.6
Zhao, X.7
Xue, Z.8
-
20
-
-
34447504395
-
-
10.1016/j.chemphys.2007.06.011
-
R. Li, J. Zhang, S. Hou, Z. Qian, Z. Shen, X. Zhao, and Z. Xue, Chem. Phys. 336, 127 (2007). 10.1016/j.chemphys.2007.06.011
-
(2007)
Chem. Phys.
, vol.336
, pp. 127
-
-
Li, R.1
Zhang, J.2
Hou, S.3
Qian, Z.4
Shen, Z.5
Zhao, X.6
Xue, Z.7
-
21
-
-
16244403960
-
Towards molecular spintronics
-
DOI 10.1038/nmat1349
-
A. R. Rocha, V. M. Garcia-Suarez, S. W. Bailey, C. J. Lambert, J. Ferrer, and S. Sanvito, Nature Mater. 4, 335 (2005). 10.1038/nmat1349 (Pubitemid 40453812)
-
(2005)
Nature Materials
, vol.4
, Issue.4
, pp. 335-339
-
-
Rocha, A.R.1
Garcia-Suarez, V.M.2
Bailey, S.W.3
Lambert, C.J.4
Ferrer, J.5
Sanvito, S.6
-
22
-
-
33244475319
-
Spin and molecular electronics in atomically generated orbital landscapes
-
DOI 10.1103/PhysRevB.73.085414, 085414
-
A. R. Rocha, V. M. Garca-Surez, S. Bailey, C. Lambert, J. Ferrer, and S. Sanvito, Phys. Rev. B 73, 085414 (2006). 10.1103/PhysRevB.73.085414 (Pubitemid 43279557)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.8
, pp. 1-22
-
-
Rocha, A.R.1
Garcia-Suarez, V.M.2
Bailey, S.3
Lambert, C.4
Ferrer, J.5
Sanvito, S.6
-
23
-
-
47249114022
-
-
10.1021/jp077058l
-
X. Zhou, Z. Chen, S. Liu, S. Jin, L. Liu, H. Zhang, Z. Xie, Y. Jiang, and B. Mao, J. Phys. Chem. C 112, 3935 (2008). 10.1021/jp077058l
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 3935
-
-
Zhou, X.1
Chen, Z.2
Liu, S.3
Jin, S.4
Liu, L.5
Zhang, H.6
Xie, Z.7
Jiang, Y.8
Mao, B.9
-
24
-
-
0042322640
-
Measurement of single-molecule resistance by repeated formation of molecular junctions
-
DOI 10.1126/science.1087481
-
B. Xu and N. J. Tao, Science 301, 1221 (2003). 10.1126/science.1087481 (Pubitemid 37052206)
-
(2003)
Science
, vol.301
, Issue.5637
, pp. 1221-1223
-
-
Xu, B.1
Tao, N.J.2
-
25
-
-
0037171091
-
The SIESTA method for ab initio order-N materials simulation
-
DOI 10.1088/0953-8984/14/11/302, PII S0953898402307379
-
J. M. Soler, E. Artacho, J. D. Gale, A. Garca, J. Junquera, P. Ordejn, and D. Snchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002). 10.1088/0953-8984/14/11/302 (Pubitemid 34288362)
-
(2002)
Journal of Physics Condensed Matter
, vol.14
, Issue.11
, pp. 2745-2779
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
Garcia, A.4
Junquera, J.5
Ordejon, P.6
Sanchez-Portal, D.7
-
31
-
-
84858975002
-
-
See supplementary material at E-JCPSA6-136-003211 for the optimized atomic structure and frontier molecular orbitals of 3,3-and 4,4-paracyclophanes in the trans form, the optimized atomic structure of the asymmetric Au-2,2paracyclophane-Au junction, the equilibrium transmission spectrum of the Pt-3,3paracyclophane-Pt junction, the optimized atomic structures and equilibrium transmission spectra of asymmetric Pt-2,2paracyclophane-Pt junctions, the measured conductance of Pt-Pt quantum point contact in pure tetradecane and parameters of the Gaussian fitting used for the conductance peaks of 2,2paracycophane connected to Au and Pt electrodes.
-
See supplementary material at http://dx.doi.org/10.1063/1.3692184 E-JCPSA6-136-003211 for the optimized atomic structure and frontier molecular orbitals of 3,3-and 4,4-paracyclophanes in the trans form, the optimized atomic structure of the asymmetric Au-2,2paracyclophane-Au junction, the equilibrium transmission spectrum of the Pt-3,3paracyclophane-Pt junction, the optimized atomic structures and equilibrium transmission spectra of asymmetric Pt-2,2paracyclophane-Pt junctions, the measured conductance of Pt-Pt quantum point contact in pure tetradecane and parameters of the Gaussian fitting used for the conductance peaks of 2,2paracycophane connected to Au and Pt electrodes.
-
-
-
-
32
-
-
84889814607
-
-
10.1524/zkri.1994.209.8.673
-
P. G. Jones, H. Hopf, Z. Pechlivanidis, and R. Boese, Z. Kristallogr. 209, 673 (1994). 10.1524/zkri.1994.209.8.673
-
(1994)
Z. Kristallogr.
, vol.209
, pp. 673
-
-
Jones, P.G.1
Hopf, H.2
Pechlivanidis, Z.3
Boese, R.4
-
33
-
-
33845303987
-
Analysis on the contribution of molecular orbitals to the conductance of molecular electronic devices
-
DOI 10.1063/1.2388272
-
R. Li, S. Hou, J. Zhang, Z. Qian, Z. Shen, and X. J. Zhao, J. Chem. Phys. 125, 194113 (2006). 10.1063/1.2388272 (Pubitemid 44867326)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.19
, pp. 194113
-
-
Li, R.1
Hou, S.2
Zhang, J.3
Qian, Z.4
Shen, Z.5
Zhao, X.6
-
34
-
-
56949091560
-
-
10.1016/j.chemphys.2008.09.013
-
S. Hou, Y. Chen, X. Shen, R. Li, J. Ning, Z. Qian, and S. Sanvito, Chem. Phys. 354, 106 (2008). 10.1016/j.chemphys.2008.09.013
-
(2008)
Chem. Phys.
, vol.354
, pp. 106
-
-
Hou, S.1
Chen, Y.2
Shen, X.3
Li, R.4
Ning, J.5
Qian, Z.6
Sanvito, S.7
-
35
-
-
33645382383
-
-
10.1021/nl052373+
-
L. Venkataraman, J. E. Klare, I. W. Tam, C. Nuckolls, M. S. Hybertsen, and M. L. Steigerwald, Nano Lett. 6, 458 (2006). 10.1021/nl052373+
-
(2006)
Nano Lett.
, vol.6
, pp. 458
-
-
Venkataraman, L.1
Klare, J.E.2
Tam, I.W.3
Nuckolls, C.4
Hybertsen, M.S.5
Steigerwald, M.L.6
-
36
-
-
37549025069
-
-
10.1021/ja0773857
-
Y. S. Park, A. C. Whalley, M. Kamenetska, M. L. Steigerwald, M. S. Hybertsen, C. Nuckolls, and L. Venkataraman, J. Am. Chem. Soc. 129, 15768 (2007). 10.1021/ja0773857
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 15768
-
-
Park, Y.S.1
Whalley, A.C.2
Kamenetska, M.3
Steigerwald, M.L.4
Hybertsen, M.S.5
Nuckolls, C.6
Venkataraman, L.7
-
37
-
-
78650621419
-
-
10.1038/nnano.2010.215
-
G. Schull, T. Frederiksen, A. Arnau, D. Snchez-Portal, and R. Berndt, Nat. Nanotechnol. 6, 23 (2011). 10.1038/nnano.2010.215
-
(2011)
Nat. Nanotechnol.
, vol.6
, pp. 23
-
-
Schull, G.1
Frederiksen, T.2
Arnau, A.3
Snchez-Portal, D.4
Berndt, R.5
-
38
-
-
79960639221
-
-
10.1103/PhysRevLett.106.196804
-
Y. Kim, H. Song, F. Strigl, H.-F. Pernau, T. Lee, and E. Scheer, Phys. Rev. Lett. 106, 196804 (2011). 10.1103/PhysRevLett.106.196804
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 196804
-
-
Kim, Y.1
Song, H.2
Strigl, F.3
Pernau, H.-F.4
Lee, T.5
Scheer, E.6
-
39
-
-
70349158744
-
-
10.1088/0957-4484/20/38/385401
-
X. Shen, Z. Yi, Z. Shen, X. Zhao, J. Wu, S. Hou, and S. Sanvito, Nanotechnology 20, 385401 (2009). 10.1088/0957-4484/20/38/385401
-
(2009)
Nanotechnology
, vol.20
, pp. 385401
-
-
Shen, X.1
Yi, Z.2
Shen, Z.3
Zhao, X.4
Wu, J.5
Hou, S.6
Sanvito, S.7
-
40
-
-
79953878593
-
-
10.1016/j.chemphys.2010.07.023
-
G. Ma, L. Sun, R. Zhang, Z. Shen, and S. Hou, Chem. Phys. 375, 67 (2010). 10.1016/j.chemphys.2010.07.023
-
(2010)
Chem. Phys.
, vol.375
, pp. 67
-
-
Ma, G.1
Sun, L.2
Zhang, R.3
Shen, Z.4
Hou, S.5
-
41
-
-
78650166316
-
-
10.1088/0957-4484/21/49/495202
-
G. Ma, X. Shen, L. Sun, R. Zhang, P. Wei, S. Sanvito, and S. Hou, Nanotechnology 21, 495202 (2010). 10.1088/0957-4484/21/49/495202
-
(2010)
Nanotechnology
, vol.21
, pp. 495202
-
-
Ma, G.1
Shen, X.2
Sun, L.3
Zhang, R.4
Wei, P.5
Sanvito, S.6
Hou, S.7
-
42
-
-
47949123422
-
-
10.1103/PhysRevLett.101.046801
-
M. Kiguchi, O. Tal, S. Wohlthat, F. Pauly, M. Krieger, D. Djukic, J. C. Cuevas, and J. M. van Ruitenbeek, Phys. Rev. Lett. 101, 046801 (2008). 10.1103/PhysRevLett.101.046801
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 046801
-
-
Kiguchi, M.1
Tal, O.2
Wohlthat, S.3
Pauly, F.4
Krieger, M.5
Djukic, D.6
Cuevas, J.C.7
Van Ruitenbeek, J.M.8
-
43
-
-
33846424625
-
-
10.1103/PhysRevB.75.045101
-
C. D. Pemmaraju, T. Archer, D. Snchez-Portal, and S. Sanvito, Phys. Rev. B 75, 045101 (2007). 10.1103/PhysRevB.75.045101
-
(2007)
Phys. Rev. B
, vol.75
, pp. 045101
-
-
Pemmaraju, C.D.1
Archer, T.2
Snchez-Portal, D.3
Sanvito, S.4
-
44
-
-
34547510314
-
Efficient atomic self-interaction correction scheme for nonequilibrium quantum transport
-
DOI 10.1103/PhysRevLett.99.056801
-
C. Toher and S. Sanvito, Phys. Rev. Lett. 99, 056801 (2007). 10.1103/PhysRevLett.99.056801 (Pubitemid 47187111)
-
(2007)
Physical Review Letters
, vol.99
, Issue.5
, pp. 056801
-
-
Toher, C.1
Sanvito, S.2
-
45
-
-
41549085996
-
-
10.1103/PhysRevB.77.155402
-
C. Toher and S. Sanvito, Phys. Rev. B 77, 155402 (2008). 10.1103/PhysRevB.77.155402
-
(2008)
Phys. Rev. B
, vol.77
, pp. 155402
-
-
Toher, C.1
Sanvito, S.2
-
46
-
-
79951921790
-
-
10.1021/nn101628w
-
R. B. Pontes, A. R. Rocha, S. Sanvito, A. Fazzio, and A. J. R. da Silva, ACS Nano 5, 795 (2011). 10.1021/nn101628w
-
(2011)
ACS Nano
, vol.5
, pp. 795
-
-
Pontes, R.B.1
Rocha, A.R.2
Sanvito, S.3
Fazzio, A.4
Da Silva, A.J.R.5
-
47
-
-
79960187241
-
-
10.1063/1.3603446
-
P. Wei, L. Sun, E. Benassi, Z. Shen, S. Sanvito, and S. Hou, J. Chem. Phys. 134, 244704 (2011). 10.1063/1.3603446
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 244704
-
-
Wei, P.1
Sun, L.2
Benassi, E.3
Shen, Z.4
Sanvito, S.5
Hou, S.6
-
48
-
-
29644443160
-
Forces and conductances in a single-molecule bipyridine junction
-
DOI 10.1103/PhysRevB.72.241401, 241401
-
R. Stadler, K. S. Thygesen, and K. W. Jacobsen, Phys. Rev. B 72, 241401(R) (2005). 10.1103/PhysRevB.72.241401 (Pubitemid 43022562)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.72
, Issue.24
, pp. 1-4
-
-
Stadler, R.1
Thygesen, K.S.2
Jacobsen, K.W.3
|