-
1
-
-
35548968881
-
Charge transport in conjugated aromatic molecular junctions: Molecular conjugation and molecule-electrode coupling
-
DOI 10.1021/jp0795309
-
R. Cohen, K. Stokbro, J. M. L. Martin, and M. A. Ratner, J. Phys. Chem. C 1932-7447 10.1021/jp0795309 111, 14893 (2007). (Pubitemid 350013587)
-
(2007)
Journal of Physical Chemistry C
, vol.111
, Issue.40
, pp. 14893-14902
-
-
Cohen, R.1
Stokbro, K.2
Martin, J.M.L.3
Ratner, M.A.4
-
2
-
-
67650493550
-
-
JCPSA6 0021-9606 10.1063/1.3151682
-
H. Liu, W. Ni, J. Zhao, N. Wang, Y. Guo, T. Taketsugu, M. Kiguchi, and K. Murakoshi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3151682 130, 244501 (2009).
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 244501
-
-
Liu, H.1
Ni, W.2
Zhao, J.3
Wang, N.4
Guo, Y.5
Taketsugu, T.6
Kiguchi, M.7
Murakoshi, K.8
-
3
-
-
77958521354
-
-
10.1002/cphc.201000436
-
H. Liu, C. Yu, N. Gao, and J. Zhao, ChemPhysChem. 10.1002/cphc.201000436 11, 1895 (2010).
-
(2010)
ChemPhysChem.
, vol.11
, pp. 1895
-
-
Liu, H.1
Yu, C.2
Gao, N.3
Zhao, J.4
-
4
-
-
77955387618
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.155101
-
A. Bilić, Ž. Crljen, B. Gumhalter, J. D. Gale, I. Rungger, and S. Sanvito, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.155101 81, 155101 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 155101
-
-
Bilić, A.1
Crljen, Ž.2
Gumhalter, B.3
Gale, J.D.4
Rungger, I.5
Sanvito, S.6
-
5
-
-
33847690144
-
The rise of graphene
-
DOI 10.1038/nmat1849, PII NMAT1849
-
A. K. Geim and K. S. Novoselov, Nature Mater. 1476-1122 10.1038/nmat1849 6, 183 (2007). (Pubitemid 46353764)
-
(2007)
Nature Materials
, vol.6
, Issue.3
, pp. 183-191
-
-
Geim, A.K.1
Novoselov, K.S.2
-
6
-
-
33744691386
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
-
D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
-
(1980)
Phys. Rev. Lett.
, vol.45
, pp. 566
-
-
Ceperley, D.M.1
Alder, B.J.2
-
7
-
-
22944463032
-
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
-
DOI 10.1063/1.1850455, 094708
-
A. Bilić, J. R. Reimers, and N. S. Hush, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1850455 122, 094708 (2005). (Pubitemid 41046265)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.9
, pp. 1-15
-
-
Bilic, A.1
Reimers, J.R.2
Hush, N.S.3
-
8
-
-
0346843091
-
The Appropriateness of Density-Functional Theory for the Calculation of Molecular Electronics Properties
-
DOI 10.1196/annals.1292.017
-
J. R. Reimers, Z. L. Cai, A. Bilić, and N. S. Hush, Ann. NY Acad. Sci. ANYAA9 0077-8923 10.1196/annals.1292.017 1006, 235 (2003). (Pubitemid 38067271)
-
(2003)
Annals of the New York Academy of Sciences
, vol.1006
, pp. 235-251
-
-
Reimers, J.R.1
Cai, Z.-L.2
Bilic, A.3
Hush, N.S.4
-
9
-
-
34547453270
-
The green's function density functional tight (gDFTB) method for molecular electronic conduction
-
DOI 10.1021/jp070598y
-
J. R. Reimers, G. C. Solomon, A. Gagliardi, A. Bilić, N. S. Hush, T. Frauenheim, A. D. Carlo, and A. Pecchia, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp070598y 111, 5692 (2007). (Pubitemid 47166773)
-
(2007)
Journal of Physical Chemistry A
, vol.111
, Issue.26
, pp. 5692-5702
-
-
Reimers, J.R.1
Solomon, G.C.2
Gagliardi, A.3
Bilic, A.4
Hush, N.S.5
Frauenheim, T.6
Di Carlo, A.7
Pecchia, A.8
-
10
-
-
28844456517
-
Self-interaction errors in density-functional calculations of electronic transport
-
DOI 10.1103/PhysRevLett.95.146402, 146402
-
C. Toher, A. Filippetti, S. Sanvito, and K. Burke, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.146402 95, 146402 (2005). (Pubitemid 41777596)
-
(2005)
Physical Review Letters
, vol.95
, Issue.14
, pp. 1-4
-
-
Toher, C.1
Filippetti, A.2
Sanvito, S.3
Burke, K.4
-
11
-
-
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
-
12
-
-
41549085996
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.77.155402
-
C. Toher and S. Sanvito, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.155402 77, 155402 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 155402
-
-
Toher, C.1
Sanvito, S.2
-
13
-
-
33846424625
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.75.045101
-
C. D. Pemmaraju, T. Archer, D. Sánchez-Portal, and S. Sanvito, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.045101 75, 045101 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 045101
-
-
Pemmaraju, C.D.1
Archer, T.2
Sánchez-Portal, D.3
Sanvito, S.4
-
14
-
-
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. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002). (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
-
15
-
-
0001161603
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425
-
L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
-
(1982)
Phys. Rev. Lett.
, vol.48
, pp. 1425
-
-
Kleinman, L.1
Bylander, D.M.2
-
16
-
-
33645426115
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.43.1993
-
N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.43.1993 43, 1993 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
17
-
-
0001563650
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.40.3979
-
O. F. Sankey and D. J. Niklewski, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.3979 40, 3979 (1989).
-
(1989)
Phys. Rev. B
, vol.40
, pp. 3979
-
-
Sankey, O.F.1
Niklewski, D.J.2
-
18
-
-
0035894201
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.64.235111
-
J. Junquera, Ó. Paz, D. Sánchez-Portal, and E. Artacho, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.64.235111 64, 235111 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 235111
-
-
Junquera, J.1
Paz, Ó.2
Sánchez-Portal, D.3
Artacho, E.4
-
19
-
-
77955387961
-
-
in edited by M. A. Reed and T. Lee (American Scientific, Los Angeles
-
P. S. Damle, A. W. Ghosh, and S. Datta, in Molecular Nanoelectronics, edited by, M. A. Reed, and, T. Lee, (American Scientific, Los Angeles, 2003), p. 115.
-
(2003)
Molecular Nanoelectronics
, pp. 115
-
-
Damle, P.S.1
Ghosh, A.W.2
Datta, S.3
-
20
-
-
33244475319
-
Spin and molecular electronics in atomically generated orbital landscapes
-
DOI 10.1103/PhysRevB.73.085414, 085414
-
A. R. Rocha, V. M. Garcia-Suarez, S. W. Bailey, C. J. Lambert, J. Ferrer, and S. Sanvito, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.085414 73, 085414 (2006). (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
-
21
-
-
46749117176
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.78.035407
-
I. Rungger and S. Sanvito, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.035407 78, 035407 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 035407
-
-
Rungger, I.1
Sanvito, S.2
-
22
-
-
1642528399
-
Electron-phonon scattering in metallic single-walled carbon nanotubes
-
DOI 10.1021/nl035258c
-
J.-Y. Park, S. Rosenblatt, Y. Yaish, V. Sazonova, H. Üstünel, S. Braig, T. Arias, P. Brouwer, and P. McEuen, Nano Lett. NALEFD 1530-6984 10.1021/nl035258c 4, 517 (2004). (Pubitemid 38402644)
-
(2004)
Nano Letters
, vol.4
, Issue.3
, pp. 517-520
-
-
Park, J.-Y.1
Rosenblatt, S.2
Yaish, Y.3
Sazonova, V.4
Ustunel, H.5
Braig, S.6
Arias, T.A.7
Brouwer, P.W.8
McEuen, P.L.9
-
23
-
-
21844476497
-
Tuning the conductance of single-walled carbon nanotubes by ion irradiation in the Anderson localization regime
-
DOI 10.1038/nmat1414
-
C. Gomez-Navarro, P. D. Pablo, J. Gomez-Herrero, B. Biel, F. Garcia-Vidal, A. Rubio, and F. Flores, Nature Mater. 1476-1122 10.1038/nmat1414 4, 534 (2005). (Pubitemid 40952748)
-
(2005)
Nature Materials
, vol.4
, Issue.7
, pp. 534-539
-
-
Gomez-Navarro, C.1
De Pablo, P.J.2
Gomez-Herrero, J.3
Biel, B.4
Garcia-Vidal, F.J.5
Rubio, A.6
Flores, F.7
-
24
-
-
79952614927
-
-
NALEFD 1530-6984 10.1021/nl103966t
-
G. Xu, C. T. Jr., J. Tang, J. Bai, E. Song, Y. Huang, X. Duan, Y. Zhang, and K. L. Wang, Nano Lett. NALEFD 1530-6984 10.1021/nl103966t 11, 1082 (2011).
-
(2011)
Nano Lett.
, vol.11
, pp. 1082
-
-
Xu, G.1
Tang, J.2
Bai, J.3
Song, E.4
Huang, Y.5
Duan, X.6
Zhang, Y.7
Wang, K.L.8
-
25
-
-
34547555143
-
-
JCPSA6 0021-9606 10.1063/1.2166362
-
G. C. Solomon, A. Gagliardi, A. Pecchia, T. Frauenheim, A. D. Carlo, J. R. Reimers, and N. S. Hush, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2166362 124, 094704 (2007).
-
(2007)
J. Chem. Phys.
, vol.124
, pp. 094704
-
-
Solomon, G.C.1
Gagliardi, A.2
Pecchia, A.3
Frauenheim, T.4
Carlo, A.D.5
Reimers, J.R.6
Hush, N.S.7
-
26
-
-
50649107451
-
-
JCPSA6 1932-7447 10.1021/jp802104n
-
A. Bilić and J. D. Gale, J. Phys. Chem. C JCPSA6 1932-7447 10.1021/jp802104n 112, 12568 (2008).
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 12568
-
-
Bilić, A.1
Gale, J.D.2
|