-
1
-
-
0037206850
-
Measurement of the conductance of a hydrogen molecule
-
DOI 10.1038/nature01103
-
R. H. M. Smit, Y. Noat, C. Untiedt, N. D. Lang, M. C. van Hemert, and J. M. van Ruitenbeek, Nature (London) NATUAS 0028-0836 10.1038/nature01103 419, 906 (2002). (Pubitemid 35339620)
-
(2002)
Nature
, vol.419
, Issue.6910
, pp. 906-909
-
-
Smit, R.H.M.1
Noat, Y.2
Untiedt, C.3
Lang, N.D.4
Van Hemert, M.C.5
Van Ruitenbeek, J.M.6
-
2
-
-
28644437276
-
Stretching dependence of the vibration modes of a single-molecule Pt- H2 -Pt bridge
-
DOI 10.1103/PhysRevB.71.161402, 161402
-
D. Djukic, K. S. Thygesen, C. Untiedt, R. H. M. Smit, K. W. Jacobsen, and J. M. van Ruitenbeek, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.161402 71, 161402 (2005). (Pubitemid 41749475)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.71
, Issue.16
, pp. 1-4
-
-
Djukic, D.1
Thygesen, K.S.2
Untiedt, C.3
Smit, R.H.M.4
Jacobsen, K.W.5
Van Ruitenbeek, J.M.6
-
3
-
-
33645382383
-
-
1530-6984 10.1021/nl052373+
-
L. Venkataraman, J. E. Klare, I. W. Tam, C. Nuckolls, M. S. Hybertsen, and M. L. Steigerwald, Nano Lett. 1530-6984 10.1021/nl052373+ 6, 458 (2006).
-
(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
-
4
-
-
36749039196
-
Amine - Gold linked single-molecule circuits: Experiment and theory
-
DOI 10.1021/nl072058i
-
S. Y. Quek, L. Venkataraman, H. J. Choi, S. G. Louie, M. S. Hybertsen, and J. B. Neaton, Nano Lett. NALEFD 1530-6984 10.1021/nl072058i 7, 3477 (2007). (Pubitemid 350216048)
-
(2007)
Nano Letters
, vol.7
, Issue.11
, pp. 3477-3482
-
-
Quek, S.Y.1
Venkataraman, L.2
Choi, H.J.3
Louie, S.G.4
Hybertsen, M.S.5
Neaton, J.B.6
-
5
-
-
38349173610
-
-
JACSAT 0002-7863 10.1021/ja0762386
-
C. Li, I. Pobelov, T. Wandlowski, A. Bagrets, A. Arnold, and F. Evers, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja0762386 130, 318 (2007).
-
(2007)
J. Am. Chem. Soc.
, vol.130
, pp. 318
-
-
Li, C.1
Pobelov, I.2
Wandlowski, T.3
Bagrets, A.4
Arnold, A.5
Evers, F.6
-
7
-
-
57149146607
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.78.205423
-
H. Şahin and R. T. Senger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.205423 78, 205423 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 205423
-
-
Şahin, H.1
Senger, R.T.2
-
9
-
-
77955151639
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.125307
-
T. Markussen, R. Rurali, X. Cartoixà, A.-P. Jauho, and M. Brandbyge, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.125307 81, 125307 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 125307
-
-
Markussen, T.1
Rurali, R.2
Cartoixà, X.3
Jauho, A.-P.4
Brandbyge, M.5
-
10
-
-
77953636556
-
-
JAPIAU 0021-8979 10.1063/1.3388324
-
Y. Lee, K. Kakushima, K. Shiraishi, K. Natori, and H. Iwai, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3388324 107, 113705 (2010).
-
(2010)
J. Appl. Phys.
, vol.107
, pp. 113705
-
-
Lee, Y.1
Kakushima, K.2
Shiraishi, K.3
Natori, K.4
Iwai, H.5
-
11
-
-
33244469967
-
First-principles study of electron-conduction properties of helical gold nanowires
-
DOI 10.1103/PhysRevLett.94.206806
-
T. Ono and K. Hirose, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.206806 94, 206806 (2005). (Pubitemid 43272564)
-
(2005)
Physical Review Letters
, vol.94
, Issue.20
, pp. 206806
-
-
Ono, T.1
Hirose, K.2
-
12
-
-
64149100108
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.094414
-
I. Rungger, O. Mryasov, and S. Sanvito, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.094414 79, 094414 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 094414
-
-
Rungger, I.1
Mryasov, O.2
Sanvito, S.3
-
13
-
-
79955384715
-
-
CATTEA 0920-5861 10.1016/j.cattod.2010.12.022
-
J. Chen, J. S. Hummelshøj, K. S. Thygesen, J. S. Myrdal, J. K. Nørskov, and T. Vegge, Catal. Today CATTEA 0920-5861 10.1016/j.cattod. 2010.12.022 165, 2 (2011).
-
(2011)
Catal. Today
, vol.165
, pp. 2
-
-
Chen, J.1
Hummelshøj, J.S.2
Thygesen, K.S.3
Myrdal, J.S.4
Nørskov, J.K.5
Vegge, T.6
-
14
-
-
77955341351
-
-
NALEFD 1530-6984 10.1021/nl100817h
-
M. Dell'Angela, G. Kladnik, A. Cossaro, A. Verdini, M. Kamenetska, I. Tamblyn, S. Y. Quek, J. B. Neaton, D. Cvetko, and A. Morgante, Nano Lett. NALEFD 1530-6984 10.1021/nl100817h 10, 2470 (2010).
-
(2010)
Nano Lett.
, vol.10
, pp. 2470
-
-
Dell'Angela, M.1
Kladnik, G.2
Cossaro, A.3
Verdini, A.4
Kamenetska, M.5
Tamblyn, I.6
Quek, S.Y.7
Neaton, J.B.8
Cvetko, D.9
Morgante, A.10
-
15
-
-
77953593444
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.245427
-
J. M. Garcia-Lastra, C. Rostgaard, A. Rubio, and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.245427 80, 245427 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 245427
-
-
Garcia-Lastra, J.M.1
Rostgaard, C.2
Rubio, A.3
Thygesen, K.S.4
-
16
-
-
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. PRLTAO 0031-9007 10.1103/PhysRevLett.99.056801 99, 056801 (2007). (Pubitemid 47187111)
-
(2007)
Physical Review Letters
, vol.99
, Issue.5
, pp. 056801
-
-
Toher, C.1
Sanvito, S.2
-
17
-
-
79961066644
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.115108
-
M. Strange, C. Rostgaard, H. Häkkinen, and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.115108 83, 115108 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 115108
-
-
Strange, M.1
Rostgaard, C.2
Häkkinen, H.3
Thygesen, K.S.4
-
19
-
-
79961174437
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.045426
-
T. Rangel, A. Ferretti, P. E. Trevisanutto, V. Olevano, and G.-M. Rignanese, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.045426 84, 045426 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 045426
-
-
Rangel, T.1
Ferretti, A.2
Trevisanutto, P.E.3
Olevano, V.4
Rignanese, G.-M.5
-
20
-
-
54749104572
-
-
JCOMEL 0953-8984 10.1088/0953-8984/20/37/374115
-
M. S. Hybertsen, L. Venkataraman, J. E. Klare, A. C. Whalley, M. L. Steigerwald, and C. Nuckolls, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/20/37/374115 20, 374115 (2008).
-
(2008)
J. Phys.: Condens. Matter
, vol.20
, pp. 374115
-
-
Hybertsen, M.S.1
Venkataraman, L.2
Klare, J.E.3
Whalley, A.C.4
Steigerwald, M.L.5
Nuckolls, C.6
-
21
-
-
3042856179
-
-
EULEEJ 0295-5075 10.1209/epl/i2004-10043-7
-
G. Stefanucci and C. O. Almbladh, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2004-10043-7 67, 14 (2004).
-
(2004)
Europhys. Lett.
, vol.67
, pp. 14
-
-
Stefanucci, G.1
Almbladh, C.O.2
-
22
-
-
80051559508
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.245448
-
C. Y. Yam, X. Zheng, G. H. Chen, Y. Wang, T. Frauenheim, and T. A. Niehaus, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.245448 83, 245448 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 245448
-
-
Yam, C.Y.1
Zheng, X.2
Chen, G.H.3
Wang, Y.4
Frauenheim, T.5
Niehaus, T.A.6
-
25
-
-
77953748283
-
-
JCOMEL 0953-8984 10.1088/0953-8984/22/25/253202
-
J. Enkovaara, C. Rostgaard, J. J. Mortensen, J. Chen, M. Dułak, L. Ferrighi, J. Gavnholt, C. Glinsvad, V. Haikola, H. A. Hansen, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/22/25/253202 22, 253202 (2010).
-
(2010)
J. Phys.: Condens. Matter
, vol.22
, pp. 253202
-
-
Enkovaara, J.1
Rostgaard, C.2
Mortensen, J.J.3
Chen, J.4
Dułak, M.5
Ferrighi, L.6
Gavnholt, J.7
Glinsvad, C.8
Haikola, V.9
Hansen, H.A.10
-
26
-
-
77953595060
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.195112
-
A. H. Larsen, M. Vanin, J. J. Mortensen, K. S. Thygesen, and K. W. Jacobsen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.195112 80, 195112 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 195112
-
-
Larsen, A.H.1
Vanin, M.2
Mortensen, J.J.3
Thygesen, K.S.4
Jacobsen, K.W.5
-
27
-
-
0038120905
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.67.155321
-
E. Louis, J. A. Vergés, J. J. Palacios, A. J. Pérez- Jiménez, and E. SanFabián, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.155321 67, 155321 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 155321
-
-
Louis, E.1
Vergés, J.A.2
Palacios, J.J.3
Pérez-Jiménez, A.J.4
Sanfabián, E.5
-
28
-
-
4243720937
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.63.245407
-
J. Taylor, H. Guo, and J. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.63.245407 63, 245407 (2001).
-
(2001)
Phys. Rev. B
, vol.63
, pp. 245407
-
-
Taylor, J.1
Guo, H.2
Wang, J.3
-
29
-
-
0037091644
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.65.165401
-
M. Brandbyge, J.-L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.65.165401 65, 165401 (2002).
-
(2002)
Phys. Rev. B
, vol.65
, pp. 165401
-
-
Brandbyge, M.1
Mozos, J.-L.2
Ordejón, P.3
Taylor, J.4
Stokbro, K.5
-
30
-
-
0037103050
-
-
CMPHC2 0301-0104 10.1016/S0301-0104(02)00446-9
-
Y. Xue, S. Datta, and M. A. Ratner, Chem. Phys. CMPHC2 0301-0104 10.1016/S0301-0104(02)00446-9 281, 151 (2002).
-
(2002)
Chem. Phys.
, vol.281
, pp. 151
-
-
Xue, Y.1
Datta, S.2
Ratner, M.A.3
-
31
-
-
0000899530
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.28.4397
-
F. Guinea, C. Tejedor, F. Flores, and E. Louis, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.28.4397 28, 4397 (1983).
-
(1983)
Phys. Rev. B
, vol.28
, pp. 4397
-
-
Guinea, F.1
Tejedor, C.2
Flores, F.3
Louis, E.4
-
32
-
-
0003422041
-
-
See, for example, Springer, New York
-
See, for example, H. Haug, and A.-P. Jauho, Quantum Kinetics in Transport and Optics of Semiconductors (Springer, New York, 1998).
-
(1998)
Quantum Kinetics in Transport and Optics of Semiconductors
-
-
Haug, H.1
Jauho, A.-P.2
-
33
-
-
33144467387
-
Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces
-
DOI 10.1103/PhysRevB.73.035404, 035404
-
A. Kiejna, G. Kresse, J. Rogal, A. De Sarkar, K. Reuter, and M. Scheffler, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.035404 73, 035404 (2006). (Pubitemid 43270615)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.3
, pp. 1-8
-
-
Kiejna, A.1
Kresse, G.2
Rogal, J.3
De Sarkar, A.4
Reuter, K.5
Scheffler, M.6
-
34
-
-
3643122627
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.68.2512
-
Y. Meir and N. S. Wingreen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.68.2512 68, 2512 (1992).
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 2512
-
-
Meir, Y.1
Wingreen, N.S.2
-
36
-
-
4243720937
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.63.245407
-
J. Taylor, H. Guo, and J. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.63.245407 63, 245407 (2001).
-
(2001)
Phys. Rev. B
, vol.63
, pp. 245407
-
-
Taylor, J.1
Guo, H.2
Wang, J.3
-
37
-
-
84860445555
-
-
Ph.D. thesis, School of Electronics and Computer Science, Peking University
-
R. Li, Ph.D. thesis, School of Electronics and Computer Science, Peking University, 2008.
-
(2008)
-
-
Li, R.1
-
38
-
-
84968498665
-
-
MCMPAF 0025-5718 10.1090/S0025-5718-68-99866-9
-
T. N. L. Patterson, Math. Comput. MCMPAF 0025-5718 10.1090/S0025-5718-68- 99866-9 22, 847 (1968).
-
(1968)
Math. Comput.
, vol.22
, pp. 847
-
-
Patterson, T.N.L.1
-
39
-
-
44649177049
-
-
Q. Zekan, H. Shimin, L. Rui, S. Ziyong, Z. Xingyu, and X. Zengquan, J. Comput. Theor. Nanosci. 5, 671 (2008).
-
(2008)
J. Comput. Theor. Nanosci.
, vol.5
, pp. 671
-
-
Zekan, Q.1
Shimin, H.2
Rui, L.3
Ziyong, S.4
Xingyu, Z.5
Zengquan, X.6
-
40
-
-
77954792765
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.035116
-
T. Ozaki, K. Nishio, and H. Kino, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.035116 81, 035116 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 035116
-
-
Ozaki, T.1
Nishio, K.2
Kino, H.3
-
42
-
-
38549085884
-
Gate-induced insulating state in bilayer graphene devices
-
DOI 10.1038/nmat2082, PII NMAT2082
-
J. B. Oostinga, H. B. Heersche, X. Liu, A. F.Morpurgo, and L. M. K. Vandersypen, Nat. Mater. 1476-1122 10.1038/nmat2082 7, 151 (2008). (Pubitemid 351161346)
-
(2008)
Nature Materials
, vol.7
, Issue.2
, pp. 151-157
-
-
Oostinga, J.B.1
Heersche, H.B.2
Liu, X.3
Morpurgo, A.F.4
Vandersypen, L.M.K.5
-
43
-
-
67651121762
-
-
1748-3387 10.1038/nnano.2009.89
-
M. F.Craciun, S. Russo, M. Yamamoto, J. B. Oostinga, A. F. Morpurgo, and S. Tarucha, Nat. Nanotechnol. 1748-3387 10.1038/nnano.2009.89 4, 383 (2009).
-
(2009)
Nat. Nanotechnol.
, vol.4
, pp. 383
-
-
Craciun, M.F.1
Russo, S.2
Yamamoto, M.3
Oostinga, J.B.4
Morpurgo, A.F.5
Tarucha, S.6
-
44
-
-
0142183388
-
Single-electron transistor of a single organic molecule with access to several redox states
-
DOI 10.1038/nature02010
-
S. Kubatkin, A. Danilov, M. Hjort, J. Cornil, J.-L. Bredas, N. Stuhr-Hansen, P. Hedegard, and T. Bjornholm, Nature (London) NATUAS 0028-0836 10.1038/nature02010 425, 698 (2003). (Pubitemid 37321322)
-
(2003)
Nature
, vol.425
, Issue.6959
, pp. 698-701
-
-
Kubatkin, S.1
Danilov, A.2
Hjort, M.3
Cornil, J.4
Bredas, J.-L.5
Stuhr-Hansen, N.6
Hedegard, P.7
Bjornholm, T.8
-
45
-
-
72949091836
-
-
NATUAS 0028-0836 10.1038/nature08639
-
S. Hyunwook, K. Youngsang, J. Y. Hee, J. Heejun, M. A. Reed, and L. Takhee, Nature (London) NATUAS 0028-0836 10.1038/nature08639 462, 1039 (2009).
-
(2009)
Nature (London)
, vol.462
, pp. 1039
-
-
Hyunwook, S.1
Youngsang, K.2
Hee, J.Y.3
Heejun, J.4
Reed, M.A.5
Takhee, L.6
-
48
-
-
35348968910
-
Structure of a thiol monolayer-protected gold nanoparticle at 1.1 Å resolution
-
DOI 10.1126/science.1148624
-
P. D. Jadzinsky, G. Calero, C. J. Ackerson, D. A. Bushnell, and R. D. Kornberg, Science SCIEAS 0036-8075 10.1126/science.1148624 318, 430 (2007). (Pubitemid 47614523)
-
(2007)
Science
, vol.318
, Issue.5849
, pp. 430-433
-
-
Jadzinsky, P.D.1
Calero, G.2
Ackerson, C.J.3
Bushnell, D.A.4
Kornberg, R.D.5
-
49
-
-
70449572546
-
-
1932-7447 10.1021/jp906216k
-
Y. Wang, Q. Chi, N. S. Hush, J. R. Reimers, J. Zhang, and J. Ulstrup, J. Phys. Chem. C 1932-7447 10.1021/jp906216k 113, 19601 (2009).
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 19601
-
-
Wang, Y.1
Chi, Q.2
Hush, N.S.3
Reimers, J.R.4
Zhang, J.5
Ulstrup, J.6
-
52
-
-
67649421393
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.79.205430
-
D. A. Areshkin and B. K. Nikolić, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.205430 79, 205430 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 205430
-
-
Areshkin, D.A.1
Nikolić, B.K.2
-
53
-
-
0030492538
-
-
JUPSAU 0031-9015 10.1143/JPSJ.65.1920
-
M. Fujita, K. Wakabayashi, K. Nakada, and K. Kusakabe, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.65.1920 65, 1920 (1996).
-
(1996)
J. Phys. Soc. Jpn.
, vol.65
, pp. 1920
-
-
Fujita, M.1
Wakabayashi, K.2
Nakada, K.3
Kusakabe, K.4
-
54
-
-
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 NNOTER 0957-4484 10.1088/0957-4484/16/12/055 16, 3057 (2005). (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
|