-
1
-
-
0033355063
-
-
SSREDI 0167-5729 10.1016/S0167-5729(99)00002-3
-
L. Kronik and Y. Shapira, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/S0167-5729(99)00002-3 37, 1 (1999), section 5.2.
-
(1999)
Surf. Sci. Rep.
, vol.37
, pp. 1
-
-
Kronik, L.1
Shapira, Y.2
-
2
-
-
0033579113
-
-
JACSAT 0002-7863 10.1021/ja9906150
-
R. Cohen, L. Kronik, A. Shanzer, D. Cahen, A. Liu, Y. Rosenwaks, J. K. Lorenz, and A. B. Ellis, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja9906150 121, 10545 (1999);
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 10545
-
-
Cohen, R.1
Kronik, L.2
Shanzer, A.3
Cahen, D.4
Liu, A.5
Rosenwaks, Y.6
Lorenz, J.K.7
Ellis, A.B.8
-
3
-
-
0030760359
-
-
JACSAT 0002-7863 10.1021/ja964434z
-
M. Bruening, R. Cohen, J. F. Guillemoles, T. Moav, J. Libman, A. Shanzer, and D. Cahen, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja964434z 119, 5720 (1998);
-
(1998)
J. Am. Chem. Soc.
, vol.119
, pp. 5720
-
-
Bruening, M.1
Cohen, R.2
Guillemoles, J.F.3
Moav, T.4
Libman, J.5
Shanzer, A.6
Cahen, D.7
-
4
-
-
0028766285
-
-
JACSAT 0002-7863 10.1021/ja00086a029
-
M. Bruening, E. Moons, D. Yaron-Marcovich, D. Cahen, J. Libman, and A. Shanzer, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00086a029 116, 2972 (1994).
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 2972
-
-
Bruening, M.1
Moons, E.2
Yaron-Marcovich, D.3
Cahen, D.4
Libman, J.5
Shanzer, A.6
-
5
-
-
0036180508
-
-
ACHRE4 0001-4842 10.1021/ar990047t
-
G. Ashkenasy, D. Cahen, R. Cohen, A. Shanzer, and A. Vilan, Acc. Chem. Res. ACHRE4 0001-4842 10.1021/ar990047t 35, 121 (2002).
-
(2002)
Acc. Chem. Res.
, vol.35
, pp. 121
-
-
Ashkenasy, G.1
Cahen, D.2
Cohen, R.3
Shanzer, A.4
Vilan, A.5
-
7
-
-
19944382813
-
-
JPCBFK 1089-5647
-
H. Haick, J. Ghabboun, O. Niitsoo, H. Cohen, D. Cahen, A. Vilan, J. Y. Hwang, A. Wan, F. Amy, and A. Kahn, J. Phys. Chem. B JPCBFK 1089-5647 109, 9622 (2005).
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 9622
-
-
Haick, H.1
Ghabboun, J.2
Niitsoo, O.3
Cohen, H.4
Cahen, D.5
Vilan, A.6
Hwang, J.Y.7
Wan, A.8
Amy, F.9
Kahn, A.10
-
8
-
-
0037960431
-
-
ADVMEW. 0935-9648. 10.1002/(SICI)1521-4095(200003)12:6<447::AID- ADMA447>3.3.CO;2-#
-
J. Krüger, U. Bach, and M. Grätzel, Adv. Mater. (Weinheim, Ger.) ADVMEW 0935-9648 10.1002/(SICI)1521-4095(200003)12:6<447::AID- ADMA447>3.3.CO;2-# 12, 447 (2000);
-
(2000)
Adv. Mater. (Weinheim, Ger.)
, vol.12
, pp. 447
-
-
Krüger, J.1
Bach, U.2
Grätzel, M.3
-
9
-
-
0035832965
-
-
APPLAB 0003-6951 10.1063/1.1384896
-
C. Ganzorig, K.-J. Kwak, K. Yagi, and M. Fujihira, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1384896 79, 272 (2001).
-
(2001)
Appl. Phys. Lett.
, vol.79
, pp. 272
-
-
Ganzorig, C.1
Kwak, K.-J.2
Yagi, K.3
Fujihira, M.4
-
10
-
-
0000401787
-
-
JAPIAU. 0021-8979. 10.1063/1.373482
-
F. Nüsch, E. W. Forsythe, Q. T. Le, Y. Gao, and L. J. Rothberg, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.373482 87, 7973 (2000).
-
(2000)
J. Appl. Phys.
, vol.87
, pp. 7973
-
-
Nüsch, F.1
Forsythe, E.W.2
Le, Q.T.3
Gao, Y.4
Rothberg, L.J.5
-
11
-
-
0034671753
-
-
ACIEF5 1433-7851
-
D. G. Wu, G. Ashkenasy, D. Shvarts, R. V. Ussyshukin, R. Naaman, A. Shanzer, and D. Cahen, Angew. Chem., Int. Ed. ACIEF5 1433-7851 39, 4496 (2000).
-
(2000)
Angew. Chem., Int. Ed.
, vol.39
, pp. 4496
-
-
Wu, D.G.1
Ashkenasy, G.2
Shvarts, D.3
Ussyshukin, R.V.4
Naaman, R.5
Shanzer, A.6
Cahen, D.7
-
12
-
-
18844467106
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.92.087205
-
Z. Vager and R. Naaman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.087205 92, 087205 (2004);
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 087205
-
-
Vager, Z.1
Naaman, R.2
-
13
-
-
0038204430
-
-
JCPSA6 0021-9606 10.1063/1.1580800
-
I. Carmeli, G. Leitus, R. Naaman, S. Reich, and Z. Vager, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1580800 118, 10372 (2003).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 10372
-
-
Carmeli, I.1
Leitus, G.2
Naaman, R.3
Reich, S.4
Vager, Z.5
-
14
-
-
20844437576
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.93.087204
-
P. Crespo, R. Litran, T. C. Rojas, M. Multigner, J. M. de la Fuente, J. C. Lopez, M. A. Garcia, A. Hernando, S. Penades, and A. Fernandez, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.087204 93, 087204 (2004).
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 087204
-
-
Crespo, P.1
Litran, R.2
Rojas, T.C.3
Multigner, M.4
De La Fuente, J.M.5
Lopez, J.C.6
Garcia, M.A.7
Hernando, A.8
Penades, S.9
Fernandez, A.10
-
15
-
-
18144396585
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.94.146103
-
W. Lu and D. Salac, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.146103 94, 146103 (2005).
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 146103
-
-
Lu, W.1
Salac, D.2
-
17
-
-
27144475250
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.95.046804
-
V. De Renzi, R. Rousseau, D. Marchetto, R. Biagi, S. Scanodolo, and U. del Pennino, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.046804 95, 046804 (2005).
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 046804
-
-
De Renzi, V.1
Rousseau, R.2
Marchetto, D.3
Biagi, R.4
Scanodolo, S.5
Del Pennino, U.6
-
18
-
-
0001711967
-
-
JPCBFK 1089-5647 10.1021/jp962581d
-
H. Villeneuve, J. Pinson, M. C. Bernard, and P. Allongue, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp962581d 101, 2415 (1997);
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 2415
-
-
Villeneuve, H.1
Pinson, J.2
Bernard, M.C.3
Allongue, P.4
-
19
-
-
0037012633
-
-
JECHES 0022-0728
-
P. Hartig, Th. Dittrich, and J. Rappich, J. Electroanal. Chem. JECHES 0022-0728 524-525, 120 (2002). Note that the monolayers described in these papers are not, strictly speaking, "self-assembled" because they were obtained by an electrochemical reaction. However, this is of no consequence to the physical mechanisms discussed in this report.
-
(2002)
J. Electroanal. Chem.
, vol.524-525
, pp. 120
-
-
Hartig, P.1
Dittrich, Th.2
Rappich, J.3
-
20
-
-
33748606013
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.46.16067
-
J. Neugebauer and M. Scheffler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.16067 46, 16067 (1992);
-
(1992)
Phys. Rev. B
, vol.46
, pp. 16067
-
-
Neugebauer, J.1
Scheffler, M.2
-
21
-
-
0001671054
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.51.4014
-
G. Makov and M. C. Payne, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.4014 51, 4014 (1995);
-
(1995)
Phys. Rev. B
, vol.51
, pp. 4014
-
-
Makov, G.1
Payne, M.C.2
-
22
-
-
0001048838
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.59.12301
-
L. Bengtsson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.12301 59, 12301 (1999);
-
(1999)
Phys. Rev. B
, vol.59
, pp. 12301
-
-
Bengtsson, L.1
-
23
-
-
0001257970
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.60.1551
-
P. A. Schultz, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.1551 60, 1551 (1999).
-
(1999)
Phys. Rev. B
, vol.60
, pp. 1551
-
-
Schultz, P.A.1
-
24
-
-
0027038172
-
-
SSREDI 0167-5729 10.1016/0167-5729(92)90014-3
-
J. P. LaFemina, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/0167-5729(92) 90014-3 16, 133 (1992).
-
(1992)
Surf. Sci. Rep.
, vol.16
, pp. 133
-
-
Lafemina, J.P.1
-
25
-
-
33645426115
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
-
N. Troullier and J.-L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991). We used the following s/p(/d) cutoff radii, in atomic units: Si: 2.5/2.5/2.5; C: 1.3/1.3; H: 1.0/1.2/1.2; Cl: 1.75/1.75/1.75; O: 1.45/1.45; Br: 1.8/1.8; N: 1.5/1.5.
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.-L.2
-
26
-
-
33645608533
-
-
JPSOAW 0022-3719 10.1088/0022-3719/12/21/009
-
J. Ihm, A. Zunger, and M. L. Cohen, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/12/21/009 12, 4409 (1979).
-
(1979)
J. Phys. C
, vol.12
, pp. 4409
-
-
Ihm, J.1
Zunger, A.2
Cohen, M.L.3
-
27
-
-
37649029459
-
-
PRLTAO. 0031-9007. 10.1103/PhysRevLett.93.213002
-
S. Kümmel, L. Kronik, and J. P. Perdew, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.213002 93, 213002 (2004);
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 213002
-
-
Kümmel, S.1
Kronik, L.2
Perdew, J.P.3
-
28
-
-
1642335199
-
-
JACSAT 0002-7863 10.1021/ja039556n
-
A. Dreuw and M. Head-Gordon, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja039556n 126, 4007 (2004).
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 4007
-
-
Dreuw, A.1
Head-Gordon, M.2
-
30
-
-
0242574487
-
-
We note, however, that the remaining small effect may still be important-see CHPLBC 0009-2614 10.1016/j.cplett.2003.09.158
-
We note, however, that the remaining small effect may still be important-see V. S. L'vov, R. Naaman, V. Tiberkevich, and Z. Vager, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2003.09.158 381, 650 (2003). The dipole change with and without the substrate in the surface-adsorbed geometry (assuming it is not a numerical artifact) would correspond to charge transfer of ∼5× 10-3 e between molecule substrate over a distance of ∼5 Å. This would correspond to a surface charge of ∼ 1012 cm-2, which is significant.
-
(2003)
Chem. Phys. Lett.
, vol.381
, pp. 650
-
-
L'Vov, V.S.1
Naaman, R.2
Tiberkevich, V.3
Vager, Z.4
-
31
-
-
0000200486
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.7.3541
-
N. D. Lang and W. Kohn, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.7.3541 7, 3541 (1973).
-
(1973)
Phys. Rev. B
, vol.7
, pp. 3541
-
-
Lang, N.D.1
Kohn, W.2
-
33
-
-
0001189489
-
-
PLEEE8 1063-651X 10.1103/PhysRevE.49.1439
-
D. M. Taylor and G. F. Bayes, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.49.1439 49, 1439 (1994).
-
(1994)
Phys. Rev. e
, vol.49
, pp. 1439
-
-
Taylor, D.M.1
Bayes, G.F.2
-
35
-
-
9744262489
-
-
JCPSA6 0021-9606 10.1063/1.1802771
-
A. Rizzo, C. Cappelli, C. Jansik, D. Jonsson, P. Salek, S. Coriani, and H. Agren, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1802771 121, 8814 (2004). The experimental value of benzene polarizability is very close to the LDA value. However, it is actually the LDA value which is needed for a fair comparison between the first principles and the phenomenological calculations. For the phenomenological model, we assumed the benzene polarizability to hold for all benzene derivatives, i.e., we assume that the polarizability of the aromatic ring is dominant over that of the functional group.
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 8814
-
-
Rizzo, A.1
Cappelli, C.2
Jansik, C.3
Jonsson, D.4
Salek, P.5
Coriani, S.6
Agren, H.7
-
36
-
-
0037205914
-
-
JACSAT 0002-7863 10.1021/ja026330w
-
G. T. Wang, C. Mui, C. B. Musgrave, and S. F. Bent, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja026330w 124, 8990 (2002);
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 8990
-
-
Wang, G.T.1
Mui, C.2
Musgrave, C.B.3
Bent, S.F.4
-
37
-
-
4644303240
-
-
JACSAT. 0002-7863. 10.1021/ja047946j
-
M. Konôpka, R. Rousseau, I. Štich, and D. Marx, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja047946j 126, 12103 (2004).
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 12103
-
-
Konôpka, M.1
Rousseau, R.2
Štich, I.3
Marx, D.4
-
39
-
-
84953846918
-
-
edited by R. C. Weast, 64th ed. (CRC Press, Boca Raton
-
CRC Handbook of Chemistry and Physics, edited by, R. C. Weast,, 64th ed. (CRC Press, Boca Raton, 1983), p. E51.
-
(1983)
CRC Handbook of Chemistry and Physics
, pp. 51
-
-
-
40
-
-
49549154895
-
-
JCISA5 0021-9797 10.1016/0021-9797(74)90002-2
-
J. Demchak and T. Fort Jr., J. Colloid Interface Sci. JCISA5 0021-9797 10.1016/0021-9797(74)90002-2 46, 191 (1974).
-
(1974)
J. Colloid Interface Sci.
, vol.46
, pp. 191
-
-
Demchak, J.1
Fort Jr., T.2
|