-
6
-
-
0038714565
-
-
Yan H., Huang Q.L., Cui J., Veinot J.G.C., Kern M.M., and Marks T.J. Advanced Materials 15 (2003) 835
-
(2003)
Advanced Materials
, vol.15
, pp. 835
-
-
Yan, H.1
Huang, Q.L.2
Cui, J.3
Veinot, J.G.C.4
Kern, M.M.5
Marks, T.J.6
-
7
-
-
33845789214
-
-
Bock C., Pham D.V., Kunze U., Kafer D., Witte G., and Woll C. Journal of Applied Physics 100 (2006) 114517-114527
-
(2006)
Journal of Applied Physics
, vol.100
, pp. 114517-114527
-
-
Bock, C.1
Pham, D.V.2
Kunze, U.3
Kafer, D.4
Witte, G.5
Woll, C.6
-
8
-
-
34547677915
-
-
Bock C., Pham D.V., Kunze U., Kafer D., Witte G., and Terfort A. Applied Physics Letters 91 (2007) 052110-52113
-
(2007)
Applied Physics Letters
, vol.91
, pp. 052110-52113
-
-
Bock, C.1
Pham, D.V.2
Kunze, U.3
Kafer, D.4
Witte, G.5
Terfort, A.6
-
11
-
-
0242270980
-
-
Pfeiffer M., Leo K., Zhou X., Huang J.S., Hofmann M., Werner A., and Blochwitz-Nimoth J. Organic Electronics 4 (2003) 89-103
-
(2003)
Organic Electronics
, vol.4
, pp. 89-103
-
-
Pfeiffer, M.1
Leo, K.2
Zhou, X.3
Huang, J.S.4
Hofmann, M.5
Werner, A.6
Blochwitz-Nimoth, J.7
-
13
-
-
28844461576
-
-
Koch N., Duhm S., Rabe J.P., Vollmer A., and Johnson R.L. Physical Review Letters 95 (2005) 237601
-
(2005)
Physical Review Letters
, vol.95
, pp. 237601
-
-
Koch, N.1
Duhm, S.2
Rabe, J.P.3
Vollmer, A.4
Johnson, R.L.5
-
14
-
-
33751286325
-
-
Duhm S., Glowatzki H., Cimpeanu V., Klankermayer J., Rabe J.P., Johnson R.L., and Koch N. Journal of Physical Chemistry B 110 (2006) 21069-21072
-
(2006)
Journal of Physical Chemistry B
, vol.110
, pp. 21069-21072
-
-
Duhm, S.1
Glowatzki, H.2
Cimpeanu, V.3
Klankermayer, J.4
Rabe, J.P.5
Johnson, R.L.6
Koch, N.7
-
15
-
-
33947574088
-
-
Duhm S., Glowatzki H., Rabe J.P., Koch N., and Johnson R.L. Applied Physics Letters 90 (2007) 122113-122123
-
(2007)
Applied Physics Letters
, vol.90
, pp. 122113-122123
-
-
Duhm, S.1
Glowatzki, H.2
Rabe, J.P.3
Koch, N.4
Johnson, R.L.5
-
17
-
-
41549111100
-
-
Jackel F., Perera U.G.E., Iancu V., Braun K.F., Koch N., Rabe J.P., and Hla S.W. Physical Review Letters 100 (2008) 126102-126104
-
(2008)
Physical Review Letters
, vol.100
, pp. 126102-126104
-
-
Jackel, F.1
Perera, U.G.E.2
Iancu, V.3
Braun, K.F.4
Koch, N.5
Rabe, J.P.6
Hla, S.W.7
-
18
-
-
42549083806
-
-
Lindell L., Unge M., Osikowicz W., Stafstrom S., Salaneck W.R., Crispin X., and de Jong M.P. Applied Physics Letters 92 (2008) 163302-163303
-
(2008)
Applied Physics Letters
, vol.92
, pp. 163302-163303
-
-
Lindell, L.1
Unge, M.2
Osikowicz, W.3
Stafstrom, S.4
Salaneck, W.R.5
Crispin, X.6
de Jong, M.P.7
-
19
-
-
0038721316
-
-
Werner A.G., Li F., Harada K., Pfeiffer M., Fritz T., and Leo K. Applied Physics Letters 82 (2003) 4495-4497
-
(2003)
Applied Physics Letters
, vol.82
, pp. 4495-4497
-
-
Werner, A.G.1
Li, F.2
Harada, K.3
Pfeiffer, M.4
Fritz, T.5
Leo, K.6
-
21
-
-
57849121592
-
-
Broker B., Blum R.P., Frisch J., Vollmer A., Hofmann O.T., Rieger R., Mullen K., Rabe J.P., Zojer E., and Koch N. Applied Physics Letters 93 (2008) 243303-243313
-
(2008)
Applied Physics Letters
, vol.93
, pp. 243303-243313
-
-
Broker, B.1
Blum, R.P.2
Frisch, J.3
Vollmer, A.4
Hofmann, O.T.5
Rieger, R.6
Mullen, K.7
Rabe, J.P.8
Zojer, E.9
Koch, N.10
-
23
-
-
0032562323
-
-
Ito E., Oji H., Ishii H., Oichi K., Ouchi Y., and Seki K. Chemical Physics Letters 287 (1998) 137-142
-
(1998)
Chemical Physics Letters
, vol.287
, pp. 137-142
-
-
Ito, E.1
Oji, H.2
Ishii, H.3
Oichi, K.4
Ouchi, Y.5
Seki, K.6
-
25
-
-
77953869284
-
-
Rangger G.M., Hofmann O.T., Romaner L., Heimel G., Bröker B., Blum R.-P., Johnson R.L., Koch N., and Zojer E. Physical Review B 79 (2009) 12
-
(2009)
Physical Review B
, vol.79
, pp. 12
-
-
Rangger, G.M.1
Hofmann, O.T.2
Romaner, L.3
Heimel, G.4
Bröker, B.5
Blum, R.-P.6
Johnson, R.L.7
Koch, N.8
Zojer, E.9
-
26
-
-
37249062151
-
-
Romaner L., Heimel G., Bredas J.-L., Gerlach A., Schreiber F., Johnson R.L., Zegenhagen J., Duhm S., Koch N., and Zojer E. Physical Review Letters 99 (2007) 256801
-
(2007)
Physical Review Letters
, vol.99
, pp. 256801
-
-
Romaner, L.1
Heimel, G.2
Bredas, J.-L.3
Gerlach, A.4
Schreiber, F.5
Johnson, R.L.6
Zegenhagen, J.7
Duhm, S.8
Koch, N.9
Zojer, E.10
-
27
-
-
34447115834
-
-
Qi D., Chen W., Gao X., Wang L., Chen S., Loh K.P., and Wee A.T.S. Journal of the American Chemical Society 129 (2007) 8084-8085
-
(2007)
Journal of the American Chemical Society
, vol.129
, pp. 8084-8085
-
-
Qi, D.1
Chen, W.2
Gao, X.3
Wang, L.4
Chen, S.5
Loh, K.P.6
Wee, A.T.S.7
-
29
-
-
27144527542
-
-
Takenobu T., Kanbara T., Akima N., Takahashi T., Shiraishi M., Tsukagoshi K., Kataura H., and Iwasa Y.A.Y. Advanced Materials 17 (2005) 2430-2434
-
(2005)
Advanced Materials
, vol.17
, pp. 2430-2434
-
-
Takenobu, T.1
Kanbara, T.2
Akima, N.3
Takahashi, T.4
Shiraishi, M.5
Tsukagoshi, K.6
Kataura, H.7
Iwasa, Y.A.Y.8
-
30
-
-
0346977332
-
-
Blochwitz J., Fritz T., Pfeiffer M., Leo K., Alloway D.M., Lee P.A., and Armstrong N.R. Organic Electronics 2 (2001) 97-104
-
(2001)
Organic Electronics
, vol.2
, pp. 97-104
-
-
Blochwitz, J.1
Fritz, T.2
Pfeiffer, M.3
Leo, K.4
Alloway, D.M.5
Lee, P.A.6
Armstrong, N.R.7
-
32
-
-
0012393478
-
-
Zhou X., Pfeiffer M., Blochwitz J., Werner A., Nollau A., Fritz T., and Leo K. Applied Physics Letters 78 (2001) 410-412
-
(2001)
Applied Physics Letters
, vol.78
, pp. 410-412
-
-
Zhou, X.1
Pfeiffer, M.2
Blochwitz, J.3
Werner, A.4
Nollau, A.5
Fritz, T.6
Leo, K.7
-
34
-
-
69949119149
-
-
Duhm S., Salzmann I., Bröker B., Glowatzki H., Johnson R., and Koch L.N. Applied Physics Letters 95 (2009) 093305
-
(2009)
Applied Physics Letters
, vol.95
, pp. 093305
-
-
Duhm, S.1
Salzmann, I.2
Bröker, B.3
Glowatzki, H.4
Johnson, R.5
Koch, L.N.6
-
35
-
-
67349107965
-
-
Gao Z.Q., Mi B.X., Xu G.Z., Wan Y.Q., Gong M.L., Cheah K.W., and Chen C.H. Chemical Communications (2008) 117-119
-
(2008)
Chemical Communications
, pp. 117-119
-
-
Gao, Z.Q.1
Mi, B.X.2
Xu, G.Z.3
Wan, Y.Q.4
Gong, M.L.5
Cheah, K.W.6
Chen, C.H.7
-
38
-
-
23244460838
-
-
Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Physical Review B 46 (1992) 6671-6687
-
(1992)
Physical Review B
, vol.46
, pp. 6671-6687
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
41
-
-
0037171091
-
-
Soler J.M., Artacho E., Gale J.D., Garcia A., Junquera J., Ordejon P., and Sanchez-Portal D. Journal of Physics: Condensed Matter 14 (2002) 2745-2779
-
(2002)
Journal of Physics: Condensed Matter
, vol.14
, 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
-
43
-
-
33751241442
-
-
Romaner L., Heimel G., Gruber M., Bredas J.L., and Zojer E. Small 2 (2006) 1468-1475
-
(2006)
Small
, vol.2
, pp. 1468-1475
-
-
Romaner, L.1
Heimel, G.2
Gruber, M.3
Bredas, J.L.4
Zojer, E.5
-
44
-
-
77953872950
-
-
Ph.D. Thesis, Graz University of Technology, Graz
-
L. Romaner, Ph.D. Thesis, Graz University of Technology, Graz, 2007.
-
(2007)
-
-
Romaner, L.1
-
47
-
-
67649535644
-
-
Romaner L., Nabok D., Puschnig P., Zojer E., and Ambrosch-Draxl C. New Journal of Physics 11 (2009) 053010
-
(2009)
New Journal of Physics
, vol.11
, pp. 053010
-
-
Romaner, L.1
Nabok, D.2
Puschnig, P.3
Zojer, E.4
Ambrosch-Draxl, C.5
-
48
-
-
0141991888
-
-
Code available from http://www.xcrysden.org
-
Kokalj A. Computational Materials Science 28 (2003) 155-168. http://www.xcrysden.org/ Code available from http://www.xcrysden.org
-
(2003)
Computational Materials Science
, vol.28
, pp. 155-168
-
-
Kokalj, A.1
-
49
-
-
77953873434
-
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M. C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M. C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople, Gaussian 03, Gaussian, Inc., Wallingford CT, 2004.
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Ag(1 1 1) has proven itself to be the most reliable metal for analyzing metal/acceptor systems, adopting our theoretical approaches, in terms of agreement with the experiment
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Ag(1 1 1) has proven itself to be the most reliable metal for analyzing metal/acceptor systems, adopting our theoretical approaches, in terms of agreement with the experiment.
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Note that expecially in Ref. [25] a detailed extensive study including an analysis of the origin of all the physical processes at the interface of F4TCNQ and Ag(1 1 1) can be found.
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Note that expecially in Ref. [25] a detailed extensive study including an analysis of the origin of all the physical processes at the interface of F4TCNQ and Ag(1 1 1) can be found.
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Here we assume that the molecule and the metal are approximately 3 Å apart.
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Here we assume that the molecule and the metal are approximately 3 Å apart.
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SPIE, Strasbourg, France pp. 699919-12
-
Heimel G., Romaner L., Zojer E., and Bredas J.-L. A Theoretical View on Self-Assembled Monolayers in Organic Electronic Devices, Organic Optoelectronics and Photonics III (2008), SPIE, Strasbourg, France pp. 699919-12
-
(2008)
A Theoretical View on Self-Assembled Monolayers in Organic Electronic Devices, Organic Optoelectronics and Photonics III
-
-
Heimel, G.1
Romaner, L.2
Zojer, E.3
Bredas, J.-L.4
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58
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A biased geometry optimization where the cyano groups of the ring were manually placed bent towards the metal returned in the optimized structure shown in Fig. 3
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A biased geometry optimization where the cyano groups of the ring were manually placed bent towards the metal returned in the optimized structure shown in Fig. 3.
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Note that such changes in orbital occupation can also be fractional
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Note that such changes in orbital occupation can also be fractional.
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156105-4
-
Du S.X., Gao H.J., Seidel C., Tsetseris L., Ji W., Kopf H., Chi L.F., Fuchs H., Pennycook S.J., and Pantelides S.T. Physical Review Letters 97 (2006) 156105-4
-
(2006)
Physical Review Letters
, vol.97
-
-
Du, S.X.1
Gao, H.J.2
Seidel, C.3
Tsetseris, L.4
Ji, W.5
Kopf, H.6
Chi, L.F.7
Fuchs, H.8
Pennycook, S.J.9
Pantelides, S.T.10
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