-
1
-
-
34548242172
-
Synthetic Light-Activated Molecular Switches and Motors on Surfaces
-
Katsonis, N.; Lubomska, M.; Pollard, M.; Feringa, B.; Rudolf, P. Synthetic Light-Activated Molecular Switches and Motors on Surfaces Prog. Surf. Sci. 2007, 82, 407-434
-
(2007)
Prog. Surf. Sci.
, vol.82
, pp. 407-434
-
-
Katsonis, N.1
Lubomska, M.2
Pollard, M.3
Feringa, B.4
Rudolf, P.5
-
2
-
-
69549095898
-
Stabilizing a Molecular Switch at Solid Surfaces: A Density Functional Theory Study of Azobenzene on Cu(111), Ag(111), and Au(111)
-
McNellis, E.; Meyer, J.; Baghi, A.; Reuter, K. Stabilizing a Molecular Switch at Solid Surfaces: A Density Functional Theory Study of Azobenzene on Cu(111), Ag(111), and Au(111) Phys. Rev. B 2009, 80 035414
-
(2009)
Phys. Rev. B
, vol.80
, pp. 035414
-
-
McNellis, E.1
Meyer, J.2
Baghi, A.3
Reuter, K.4
-
3
-
-
0042529199
-
Thermoelectric Effect in Molecular Electronics
-
Paulsson, M.; Datta, S. Thermoelectric Effect in Molecular Electronics Phys. Rev. B 2003, 70, 241403(R)
-
(2003)
Phys. Rev. B
, vol.70
, pp. 241403R
-
-
Paulsson, M.1
Datta, S.2
-
4
-
-
33947412649
-
Thermoelectricity in Molecular Junctions
-
Reddy, P.; Jang, S.-Y.; Segalman, R. A.; Majumdar, A. Thermoelectricity in Molecular Junctions Science 2007, 315, 1568-1571
-
(2007)
Science
, vol.315
, pp. 1568-1571
-
-
Reddy, P.1
Jang, S.-Y.2
Segalman, R.A.3
Majumdar, A.4
-
5
-
-
47749145773
-
Light-Powered Electrical Switch Based on Cargo-Lifting Azobenzene Monolayers
-
Ferri, V.; Elbing, M.; Pace, G.; Dickey, M. D.; Zharnikov, M.; Samorì, P.; Mayor, M.; Rampi, M. A. Light-Powered Electrical Switch Based on Cargo-Lifting Azobenzene Monolayers Angew. Chem., Int. Ed. 2008, 47, 3407-3409
-
(2008)
Angew. Chem., Int. Ed.
, vol.47
, pp. 3407-3409
-
-
Ferri, V.1
Elbing, M.2
Pace, G.3
Dickey, M.D.4
Zharnikov, M.5
Samorì, P.6
Mayor, M.7
Rampi, M.A.8
-
6
-
-
80051693082
-
Organic Resistive Memory Devices: Performance Enhancement, Integration, and Advanced Architectures
-
Cho, B.; Song, S.; Ji, Y.; Kim, T.-W.; Lee, T. Organic Resistive Memory Devices: Performance Enhancement, Integration, and Advanced Architectures Adv. Funct. Mater. 2011, 21, 2806-2829
-
(2011)
Adv. Funct. Mater.
, vol.21
, pp. 2806-2829
-
-
Cho, B.1
Song, S.2
Ji, Y.3
Kim, T.-W.4
Lee, T.5
-
7
-
-
8444231667
-
Gate Insulators in Organic Field-Effect Transistors
-
Veres, J.; Ogier, S.; Lloyd, G.; de Leeuw, D. Gate Insulators in Organic Field-Effect Transistors Chem. Mater. 2004, 16, 4543-4555
-
(2004)
Chem. Mater.
, vol.16
, pp. 4543-4555
-
-
Veres, J.1
Ogier, S.2
Lloyd, G.3
De Leeuw, D.4
-
8
-
-
34447580226
-
Organic Electronic Devices and Their Functional Interfaces
-
Koch, N. Organic Electronic Devices and Their Functional Interfaces ChemPhysChem 2007, 8, 1438-1455
-
(2007)
ChemPhysChem
, vol.8
, pp. 1438-1455
-
-
Koch, N.1
-
9
-
-
77956957613
-
Organic Semiconductor Growth and Morphology Considerations for Organic Thin-Film Transistors
-
Virkar, A. A.; Mannsfeld, S.; Bao, Z.; Stingelin, N. Organic Semiconductor Growth and Morphology Considerations for Organic Thin-Film Transistors Adv. Mater. 2010, 22, 3857-3875
-
(2010)
Adv. Mater.
, vol.22
, pp. 3857-3875
-
-
Virkar, A.A.1
Mannsfeld, S.2
Bao, Z.3
Stingelin, N.4
-
10
-
-
85033426302
-
Molecular Spintronics
-
Sanvito, S. Molecular Spintronics Chem. Soc. Rev. 2011, 40, 3336-3355
-
(2011)
Chem. Soc. Rev.
, vol.40
, pp. 3336-3355
-
-
Sanvito, S.1
-
11
-
-
0036890377
-
Recent Progress of Molecular Organic Electroluminescent Materials and Devices
-
Hung, L. S.; Chen, C. H. Recent Progress of Molecular Organic Electroluminescent Materials and Devices Mater. Sci. Eng. R Rep. 2002, 39, 143-222
-
(2002)
Mater. Sci. Eng. R Rep.
, vol.39
, pp. 143-222
-
-
Hung, L.S.1
Chen, C.H.2
-
12
-
-
56349141061
-
Small-Molecule Solar Cells-Status and Perspectives
-
Riede, M.; Mueller, T.; Tress, W.; Schueppel, R.; Leo, K. Small-Molecule Solar Cells-Status and Perspectives Nanotechnology 2008, 19 424001
-
(2008)
Nanotechnology
, vol.19
, pp. 424001
-
-
Riede, M.1
Mueller, T.2
Tress, W.3
Schueppel, R.4
Leo, K.5
-
13
-
-
84874426285
-
Electronic and Optoelectronic Materials and Devices Inspired by Nature
-
Meredith, P.; Bettinger, C. J.; Irimia-Vladu, M.; Mostert, A. B.; Schwenn, P. E. Electronic and Optoelectronic Materials and Devices Inspired by Nature Rep. Prog. Phys. 2013, 76 034501
-
(2013)
Rep. Prog. Phys.
, vol.76
, pp. 034501
-
-
Meredith, P.1
Bettinger, C.J.2
Irimia-Vladu, M.3
Mostert, A.B.4
Schwenn, P.E.5
-
14
-
-
84900445562
-
Recent Progress in Degradation and Stabilization of Organic Solar Cells
-
Cao, H.; He, W.; Mao, Y.; Lin, X.; Ishikawa, K.; Dickerson, J. H.; Hess, W. P. Recent Progress in Degradation and Stabilization of Organic Solar Cells J. Power Sources 2014, 264, 168-183
-
(2014)
J. Power Sources
, vol.264
, pp. 168-183
-
-
Cao, H.1
He, W.2
Mao, Y.3
Lin, X.4
Ishikawa, K.5
Dickerson, J.H.6
Hess, W.P.7
-
15
-
-
84900814102
-
Organic Materials for Organic Electronic Devices
-
Lee, C. W.; Kim, O. Y.; Lee, J. Y. Organic Materials for Organic Electronic Devices J. Ind. Eng. Chem. 2014, 20, 1198-1208
-
(2014)
J. Ind. Eng. Chem.
, vol.20
, pp. 1198-1208
-
-
Lee, C.W.1
Kim, O.Y.2
Lee, J.Y.3
-
16
-
-
77953479062
-
Fundamentals of Energy Transport, Energy Conversion, and Thermal Properties in Organic-inorganic Heterojunctions
-
Malen, J. A.; Yee, S. K.; Majumdar, A.; Segalman, R. A. Fundamentals of Energy Transport, Energy Conversion, and Thermal Properties in Organic-inorganic Heterojunctions Chem. Phys. Lett. 2010, 491, 109-122
-
(2010)
Chem. Phys. Lett.
, vol.491
, pp. 109-122
-
-
Malen, J.A.1
Yee, S.K.2
Majumdar, A.3
Segalman, R.A.4
-
17
-
-
42749103677
-
Conductance of Molecular Wires and Transport Calculations Based on Density-Functional Theory
-
Evers, F.; Weigend, F.; Koentopp, M. Conductance of Molecular Wires and Transport Calculations Based on Density-Functional Theory Phys. Rev. B 2004, 69 235411
-
(2004)
Phys. Rev. B
, vol.69
, pp. 235411
-
-
Evers, F.1
Weigend, F.2
Koentopp, M.3
-
18
-
-
0038442872
-
Electron Transport in Molecular Wire Junctions
-
Nitzan, A. Electron Transport in Molecular Wire Junctions Science 2003, 300, 1384-1389
-
(2003)
Science
, vol.300
, pp. 1384-1389
-
-
Nitzan, A.1
-
19
-
-
0000429538
-
Controlling Schottky Energy Barriers in Organic Electronic Devices Using Self-Assembled Monolayers
-
Campbell, I. H.; Rubin, S.; Zawodzinski, T. A.; Kress, J. D.; Martin, R. L.; Smith, D. L.; Barashkov, N. N.; Ferraris, J. P. Controlling Schottky Energy Barriers in Organic Electronic Devices Using Self-Assembled Monolayers Phys. Rev. B 1996, 54, 14321-14324
-
(1996)
Phys. Rev. B
, vol.54
, pp. 14321-14324
-
-
Campbell, I.H.1
Rubin, S.2
Zawodzinski, T.A.3
Kress, J.D.4
Martin, R.L.5
Smith, D.L.6
Barashkov, N.N.7
Ferraris, J.P.8
-
20
-
-
24644483099
-
Tuning the Hole Injection Barrier Height at Organic/metal Interfaces with (sub-) Monolayers of Electron Acceptor Molecules
-
Koch, N.; Duhm, S.; Rabe, J. P.; Rentenberger, S.; Johnson, R. L.; Klankermayer, J.; Schreiber, F. Tuning the Hole Injection Barrier Height at Organic/metal Interfaces with (sub-) Monolayers of Electron Acceptor Molecules Appl. Phys. Lett. 2005, 87 101905
-
(2005)
Appl. Phys. Lett.
, vol.87
, pp. 101905
-
-
Koch, N.1
Duhm, S.2
Rabe, J.P.3
Rentenberger, S.4
Johnson, R.L.5
Klankermayer, J.6
Schreiber, F.7
-
21
-
-
23944517732
-
Charge Injection Barrier Heights Across Multilayer Organic Thin Films
-
Richard, J.; Salaneck, W. R. Charge Injection Barrier Heights Across Multilayer Organic Thin Films Jpn. J. Appl. Phys. 2005, 44, 3751-3756
-
(2005)
Jpn. J. Appl. Phys.
, vol.44
, pp. 3751-3756
-
-
Richard, J.1
Salaneck, W.R.2
-
22
-
-
34250653328
-
Charge-Injection Barriers at Realistic Metal/Organic Interfaces: Metals Become Faceless
-
Grobosch, M.; Knupfer, M. Charge-Injection Barriers at Realistic Metal/Organic Interfaces: Metals Become Faceless Adv. Mater. 2007, 19, 754-756
-
(2007)
Adv. Mater.
, vol.19
, pp. 754-756
-
-
Grobosch, M.1
Knupfer, M.2
-
23
-
-
41549152116
-
The Influence of Metal Work Function on the Barrier Heights of Metal/Pentacene Junctions
-
Jaeckel, B.; Sambur, J. B.; Parkinson, B. A. The Influence of Metal Work Function on the Barrier Heights of Metal/Pentacene Junctions J. Appl. Phys. 2008, 103 063719
-
(2008)
J. Appl. Phys.
, vol.103
, pp. 063719
-
-
Jaeckel, B.1
Sambur, J.B.2
Parkinson, B.A.3
-
24
-
-
78149249625
-
Surface Dipole of F4TCNQ Films: Collective Charge Transfer and Dipole-Dipole Repulsion in Submonolayers
-
Soos, Z. G.; Topham, B. J. Surface Dipole of F4TCNQ Films: Collective Charge Transfer and Dipole-Dipole Repulsion in Submonolayers Org. Electron. 2011, 12, 39-44
-
(2011)
Org. Electron.
, vol.12
, pp. 39-44
-
-
Soos, Z.G.1
Topham, B.J.2
-
25
-
-
84865962980
-
Understanding Interfacial Electronic Structure and Charge Transfer: An Electrostatic Perspective
-
Monti, O. L. A. Understanding Interfacial Electronic Structure and Charge Transfer: An Electrostatic Perspective J. Phys. Chem. Lett. 2013, 2342-2351
-
(2013)
J. Phys. Chem. Lett.
, pp. 2342-2351
-
-
Monti, O.L.A.1
-
26
-
-
1842615820
-
Dipole Formation at metal/PTCDA Interfaces: Role of the Charge Neutrality Level
-
Vázquez, H.; Oszwaldowski, R.; Pou, P.; Ortega, J.; Pérez, R.; Flores, F.; Kahn, A. Dipole Formation at metal/PTCDA Interfaces: Role of the Charge Neutrality Level Europhys. Lett. EPL 2004, 65, 802-808
-
(2004)
Europhys. Lett. EPL
, vol.65
, pp. 802-808
-
-
Vázquez, H.1
Oszwaldowski, R.2
Pou, P.3
Ortega, J.4
Pérez, R.5
Flores, F.6
Kahn, A.7
-
27
-
-
22944431856
-
Characterization of the Interface Dipole at the Paraphenylenediamine-Nickel Interface: A Joint Theoretical and Experimental Study
-
Lindell, L.; de Jong, M. P.; Osikowicz, W.; Lazzaroni, R.; Berggren, M.; Salaneck, W. R.; Crispin, X. Characterization of the Interface Dipole at the Paraphenylenediamine-Nickel Interface: A Joint Theoretical and Experimental Study J. Chem. Phys. 2005, 122 084712
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 084712
-
-
Lindell, L.1
De Jong, M.P.2
Osikowicz, W.3
Lazzaroni, R.4
Berggren, M.5
Salaneck, W.R.6
Crispin, X.7
-
28
-
-
33751286325
-
Weak Charge Transfer between an Acceptor Molecule and Metal Surfaces Enabling Organic/Metal Energy Level Tuning
-
Duhm, S.; Glowatzki, H.; Cimpeanu, V.; Klankermayer, J.; Rabe, J. P.; Johnson, R. L.; Koch, N. Weak Charge Transfer between an Acceptor Molecule and Metal Surfaces Enabling Organic/Metal Energy Level Tuning J. Phys. Chem. B 2006, 110, 21069-21072
-
(2006)
J. Phys. Chem. 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
-
29
-
-
37249062151
-
Impact of Bidirectional Charge Transfer and Molecular Distortions on the Electronic Structure of a Metal-Organic Interface
-
Romaner, L.; Heimel, G.; Brédas, J.-L.; Gerlach, A.; Schreiber, F.; Johnson, R.; Zegenhagen, J.; Duhm, S.; Koch, N.; Zojer, E. Impact of Bidirectional Charge Transfer and Molecular Distortions on the Electronic Structure of a Metal-Organic Interface Phys. Rev. Lett. 2007, 99 256801
-
(2007)
Phys. Rev. Lett.
, vol.99
, pp. 256801
-
-
Romaner, L.1
Heimel, G.2
Brédas, J.-L.3
Gerlach, A.4
Schreiber, F.5
Johnson, R.6
Zegenhagen, J.7
Duhm, S.8
Koch, N.9
Zojer, E.10
-
30
-
-
34047268758
-
Fermi Level Pinning at Interfaces with Tetrafluorotetracyanoquinodimethane (F4-TCNQ): The Role of Integer Charge Transfer States
-
Braun, S.; Salaneck, W. R. Fermi Level Pinning at Interfaces with Tetrafluorotetracyanoquinodimethane (F4-TCNQ): The Role of Integer Charge Transfer States Chem. Phys. Lett. 2007, 438, 259-262
-
(2007)
Chem. Phys. Lett.
, vol.438
, pp. 259-262
-
-
Braun, S.1
Salaneck, W.R.2
-
31
-
-
35449008437
-
Long-Range Repulsive Interaction between Molecules on a Metal Surface Induced by Charge Transfer
-
Fernandez-Torrente, I.; Monturet, S.; Franke, K.; Fraxedas, J.; Lorente, N.; Pascual, J. Long-Range Repulsive Interaction between Molecules on a Metal Surface Induced by Charge Transfer Phys. Rev. Lett. 2007, 99 176103
-
(2007)
Phys. Rev. Lett.
, vol.99
, pp. 176103
-
-
Fernandez-Torrente, I.1
Monturet, S.2
Franke, K.3
Fraxedas, J.4
Lorente, N.5
Pascual, J.6
-
32
-
-
77951672548
-
Charge-Transfer-Induced Structural Rearrangements at Both Sides of Organic/metal Interfaces
-
Tseng, T.-C.; Urban, C.; Wang, Y.; Otero, R.; Tait, S. L.; Alcamí, M.; écija, D.; Trelka, M.; Gallego, J. M.; Lin, N. Charge-Transfer-Induced Structural Rearrangements at Both Sides of Organic/metal Interfaces Nat. Chem. 2010, 2, 374-379
-
(2010)
Nat. Chem.
, vol.2
, pp. 374-379
-
-
Tseng, T.-C.1
Urban, C.2
Wang, Y.3
Otero, R.4
Tait, S.L.5
Alcamí, M.6
Écija, D.7
Trelka, M.8
Gallego, J.M.9
Lin, N.10
-
33
-
-
79952943942
-
Fermi Level Pinning by Integer Charge Transfer at Electrode-Organic Semiconductor Interfaces
-
Bokdam, M.; Çaklr, D.; Brocks, G. Fermi Level Pinning by Integer Charge Transfer at Electrode-Organic Semiconductor Interfaces Appl. Phys. Lett. 2011, 98 113303
-
(2011)
Appl. Phys. Lett.
, vol.98
, pp. 113303
-
-
Bokdam, M.1
Çaklr, D.2
Brocks, G.3
-
34
-
-
60349103559
-
Soft" Metallic Contact to Isolated C 60
-
Glowatzki, H.; Bröker, B.; Blum, R.-P.; Hofmann, O. T.; Vollmer, A.; Rieger, R.; Müllen, K.; Zojer, E.; Rabe, J. P.; Koch, N. Soft" Metallic Contact to Isolated C 60 Nano Lett. 2008, 8, 3825-3829
-
(2008)
Nano Lett.
, vol.8
, pp. 3825-3829
-
-
Glowatzki, H.1
Bröker, B.2
Blum, R.-P.3
Hofmann, O.T.4
Vollmer, A.5
Rieger, R.6
Müllen, K.7
Zojer, E.8
Rabe, J.P.9
Koch, N.10
-
35
-
-
61349188314
-
Reducing the Metal Work Function beyond Pauli Pushback: A Computational Investigation of Tetrathiafulvalene and Viologen on Coinage Metal Surfaces
-
Hofmann, O. T.; Rangger, G. M.; Zojer, E. Reducing the Metal Work Function beyond Pauli Pushback: A Computational Investigation of Tetrathiafulvalene and Viologen on Coinage Metal Surfaces J. Phys. Chem. C 2008, 112, 20357-20365
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 20357-20365
-
-
Hofmann, O.T.1
Rangger, G.M.2
Zojer, E.3
-
36
-
-
73249136915
-
Understanding the Electronic Structure of Metal/SAM/Organic-Semiconductor Heterojunctions
-
Rissner, F.; Rangger, G. M.; Hofmann, O. T.; Track, A. M.; Heimel, G.; Zojer, E. Understanding the Electronic Structure of Metal/SAM/Organic-Semiconductor Heterojunctions ACS Nano 2009, 3, 3513-3520
-
(2009)
ACS Nano
, vol.3
, pp. 3513-3520
-
-
Rissner, F.1
Rangger, G.M.2
Hofmann, O.T.3
Track, A.M.4
Heimel, G.5
Zojer, E.6
-
37
-
-
0037055015
-
Characterization of the Interface Dipole at Organic/ Metal Interfaces
-
Crispin, X.; Geskin, V.; Crispin, A.; Cornil, J.; Lazzaroni, R.; Salaneck, W. R.; Brédas, J.-L. Characterization of the Interface Dipole at Organic/ Metal Interfaces J. Am. Chem. Soc. 2002, 124, 8131-8141
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 8131-8141
-
-
Crispin, X.1
Geskin, V.2
Crispin, A.3
Cornil, J.4
Lazzaroni, R.5
Salaneck, W.R.6
Brédas, J.-L.7
-
38
-
-
33847726261
-
Induced Density of States Model for Weakly-Interacting Organic Semiconductor Interfaces
-
Vazquez, H.; Flores, F.; Kahn, A. Induced Density of States Model for Weakly-Interacting Organic Semiconductor Interfaces Org. Electron. 2007, 8, 241-248
-
(2007)
Org. Electron.
, vol.8
, pp. 241-248
-
-
Vazquez, H.1
Flores, F.2
Kahn, A.3
-
39
-
-
70349852839
-
Modelling Energy Level Alignment at Organic Interfaces and Density Functional Theory
-
Flores, F.; Ortega, J.; Vázquez, H. Modelling Energy Level Alignment at Organic Interfaces and Density Functional Theory Phys. Chem. Chem. Phys. 2009, 11, 8658-8675
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 8658-8675
-
-
Flores, F.1
Ortega, J.2
Vázquez, H.3
-
40
-
-
67649535644
-
Theoretical Study of PTCDA Adsorbed on the Coinage Metal Surfaces, Ag (111), Au (111) and Cu (111)
-
Romaner, L.; Nabok, D.; Puschnig, P.; Zojer, E.; Ambrosch-Draxl, C. Theoretical Study of PTCDA Adsorbed on the Coinage Metal Surfaces, Ag (111), Au (111) and Cu (111) New J. Phys. 2009, 11 053010
-
(2009)
New J. Phys.
, vol.11
, pp. 053010
-
-
Romaner, L.1
Nabok, D.2
Puschnig, P.3
Zojer, E.4
Ambrosch-Draxl, C.5
-
41
-
-
57849121592
-
Gold Work Function Reduction by 2.2 eV with an Air-Stable Molecular Donor Layer
-
Bröker, B.; Blum, R.-P.; Frisch, J.; Vollmer, A.; Hofmann, O. T.; Rieger, R.; Müllen, K.; Rabe, J. P.; Zojer, E.; Koch, N. Gold Work Function Reduction by 2.2 eV with an Air-Stable Molecular Donor Layer Appl. Phys. Lett. 2008, 93 243303
-
(2008)
Appl. Phys. Lett.
, vol.93
, pp. 243303
-
-
Bröker, B.1
Blum, R.-P.2
Frisch, J.3
Vollmer, A.4
Hofmann, O.T.5
Rieger, R.6
Müllen, K.7
Rabe, J.P.8
Zojer, E.9
Koch, N.10
-
42
-
-
77955341351
-
Relating Energy Level Alignment and Amine-Linked Single Molecule Junction Conductance
-
Dell'Angela, M.; Kladnik, G.; Cossaro, A.; Verdini, A.; Kamenetska, M.; Tamblyn, I.; Quek, S. Y.; Neaton, J. B.; Cvetko, D.; Morgante, A. Relating Energy Level Alignment and Amine-Linked Single Molecule Junction Conductance Nano Lett. 2010, 10, 2470-2474
-
(2010)
Nano Lett.
, vol.10
, pp. 2470-2474
-
-
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
-
43
-
-
18044365016
-
Molecular Distortions and Chemical Bonding of a Large Δ-Conjugated Molecule on a Metal Surface
-
Hauschild, A.; Karki, K.; Cowie, B.; Rohlfing, M.; Tautz, F.; Sokolowski, M. Molecular Distortions and Chemical Bonding of a Large Δ-Conjugated Molecule on a Metal Surface Phys. Rev. Lett. 2005, 94 036106
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 036106
-
-
Hauschild, A.1
Karki, K.2
Cowie, B.3
Rohlfing, M.4
Tautz, F.5
Sokolowski, M.6
-
44
-
-
84875431594
-
Charged and Metallic Molecular Monolayers through Surface-Induced Aromatic Stabilization
-
Heimel, G.; Duhm, S.; Salzmann, I.; Gerlach, A.; Strozecka, A.; Niederhausen, J.; Bürker, C.; Hosokai, T.; Fernandez-Torrente, I.; Schulze, G. Charged and Metallic Molecular Monolayers through Surface-Induced Aromatic Stabilization Nat. Chem. 2013, 5, 187-194
-
(2013)
Nat. Chem.
, vol.5
, pp. 187-194
-
-
Heimel, G.1
Duhm, S.2
Salzmann, I.3
Gerlach, A.4
Strozecka, A.5
Niederhausen, J.6
Bürker, C.7
Hosokai, T.8
Fernandez-Torrente, I.9
Schulze, G.10
-
45
-
-
4944240830
-
Transparent Low-Work-Function Indium Tin Oxide Electrode Obtained by Molecular Scale Interface Engineering
-
Osikowicz, W.; Crispin, X.; Tengstedt, C.; Lindell, L.; Kugler, T.; Salaneck, W. R. Transparent Low-Work-Function Indium Tin Oxide Electrode Obtained by Molecular Scale Interface Engineering Appl. Phys. Lett. 2004, 85, 1616
-
(2004)
Appl. Phys. Lett.
, vol.85
, pp. 1616
-
-
Osikowicz, W.1
Crispin, X.2
Tengstedt, C.3
Lindell, L.4
Kugler, T.5
Salaneck, W.R.6
-
46
-
-
42749105343
-
Coulomb Interactions in Rubidium-Doped Tetracyanoethylene: A Model System for Organometallic Magnets
-
Tengstedt, C.; Unge, M.; de Jong, M.; Stafström, S.; Salaneck, W.; Fahlman, M. Coulomb Interactions in Rubidium-Doped Tetracyanoethylene: A Model System for Organometallic Magnets Phys. Rev. B 2004, 69 165208
-
(2004)
Phys. Rev. B
, vol.69
, pp. 165208
-
-
Tengstedt, C.1
Unge, M.2
De Jong, M.3
Stafström, S.4
Salaneck, W.5
Fahlman, M.6
-
47
-
-
0000208141
-
Electronic Structure of tris(8-Hydroxyquinoline) Aluminum Thin Films in the Pristine and Reduced States
-
Johansson, N.; Osada, T.; Stafström, S.; Salaneck, W. R.; Parente, V.; dos Santos, D. A.; Crispin, X.; Brédas, J. L. Electronic Structure of tris(8-Hydroxyquinoline) Aluminum Thin Films in the Pristine and Reduced States J. Chem. Phys. 1999, 111, 2157-2163
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 2157-2163
-
-
Johansson, N.1
Osada, T.2
Stafström, S.3
Salaneck, W.R.4
Parente, V.5
Dos Santos, D.A.6
Crispin, X.7
Brédas, J.L.8
-
48
-
-
66149149792
-
Energy-Level Alignment at Organic/Metal and Organic/Organic Interfaces
-
Braun, S.; Salaneck, W. R.; Fahlman, M. Energy-Level Alignment at Organic/Metal and Organic/Organic Interfaces Adv. Mater. 2009, 21, 1450-1472
-
(2009)
Adv. Mater.
, vol.21
, pp. 1450-1472
-
-
Braun, S.1
Salaneck, W.R.2
Fahlman, M.3
-
49
-
-
42549083806
-
Integer Charge Transfer at the tetrakis(dimethylamino)ethylene/Au Interface
-
Lindell, L.; Unge, M.; Osikowicz, W.; Stafström, S.; Salaneck, W. R.; Crispin, X.; de Jong, M. P. Integer Charge Transfer at the tetrakis(dimethylamino)ethylene/Au Interface Appl. Phys. Lett. 2008, 92 163302
-
(2008)
Appl. Phys. Lett.
, vol.92
, pp. 163302
-
-
Lindell, L.1
Unge, M.2
Osikowicz, W.3
Stafström, S.4
Salaneck, W.R.5
Crispin, X.6
De Jong, M.P.7
-
50
-
-
37149018942
-
Formation of the Interfacial Dipole at Organic-Organic Interfaces: C60/Polymer Interfaces
-
Osikowicz, W.; de Jong, M. P.; Salaneck, W. R. Formation of the Interfacial Dipole at Organic-Organic Interfaces: C60/Polymer Interfaces Adv. Mater. 2007, 19, 4213-4217
-
(2007)
Adv. Mater.
, vol.19
, pp. 4213-4217
-
-
Osikowicz, W.1
De Jong, M.P.2
Salaneck, W.R.3
-
51
-
-
23944517732
-
Charge Injection Barrier Heights Across Multilayer Organic Thin Films
-
Murdey, R. J.; Salaneck, W. R. Charge Injection Barrier Heights Across Multilayer Organic Thin Films Jpn. J. Appl. Phys. 2005, 44, 3751-3756
-
(2005)
Jpn. J. Appl. Phys.
, vol.44
, pp. 3751-3756
-
-
Murdey, R.J.1
Salaneck, W.R.2
-
52
-
-
0013105933
-
Electronic Structure and Current Injection in Zinc Phthalocyanine Doped with Tetrafluorotetracyanoquinodimethane: Interface versus Bulk Effects
-
Gao, W.; Kahn, A. Electronic Structure and Current Injection in Zinc Phthalocyanine Doped with Tetrafluorotetracyanoquinodimethane: Interface versus Bulk Effects Org. Electron. 2002, 3, 53-63
-
(2002)
Org. Electron.
, vol.3
, pp. 53-63
-
-
Gao, W.1
Kahn, A.2
-
53
-
-
0030834751
-
Enhanced Electron Injection in Organic Electroluminescence Devices Using an Al/LiF Electrode
-
Hung, L. S.; Tang, C. W.; Mason, M. G. Enhanced Electron Injection in Organic Electroluminescence Devices Using an Al/LiF Electrode Appl. Phys. Lett. 1997, 70, 152
-
(1997)
Appl. Phys. Lett.
, vol.70
, pp. 152
-
-
Hung, L.S.1
Tang, C.W.2
Mason, M.G.3
-
54
-
-
0031207690
-
Organic EL Cells Using Alkaline Metal Compounds as Electron Injection Materials
-
Wakimoto, T.; Fukuda, Y.; Nagayama, K.; Yokoi, A.; Nakada, H.; Tsuchida, M. Organic EL Cells Using Alkaline Metal Compounds as Electron Injection Materials IEEE Trans. Electron Devices 1997, 44, 1245-1248
-
(1997)
IEEE Trans. Electron Devices
, vol.44
, pp. 1245-1248
-
-
Wakimoto, T.1
Fukuda, Y.2
Nagayama, K.3
Yokoi, A.4
Nakada, H.5
Tsuchida, M.6
-
55
-
-
11144356363
-
Enhancement of Electron Injection in Organic Light-Emitting Devices Using an Ag/LiF Cathode
-
Wang, X. J. Enhancement of Electron Injection in Organic Light-Emitting Devices Using an Ag/LiF Cathode J. Appl. Phys. 2004, 95, 3828
-
(2004)
J. Appl. Phys.
, vol.95
, pp. 3828
-
-
Wang, X.J.1
-
56
-
-
4243656226
-
Self-Consistent Model of Hydrogen Chemisorption
-
Newns, D. Self-Consistent Model of Hydrogen Chemisorption Phys. Rev. 1969, 178, 1123-1135
-
(1969)
Phys. Rev.
, vol.178
, pp. 1123-1135
-
-
Newns, D.1
-
57
-
-
2842617037
-
Localized Magnetic States in Metals
-
Anderson, P. Localized Magnetic States in Metals Phys. Rev. 1961, 124, 41-53
-
(1961)
Phys. Rev.
, vol.124
, pp. 41-53
-
-
Anderson, P.1
-
58
-
-
84924210421
-
Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface
-
Gruenewald, M.; Schirra, L. K.; Winget, P.; Kozlik, M.; Ndione, P. F.; Sigdel, A. K.; Berry, J. J.; Forker, R.; Bredas, J.-L.; Fritz, T. Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface J. Phys. Chem. C 2015, 119, 4865-4873
-
(2015)
J. Phys. Chem. C
, vol.119
, pp. 4865-4873
-
-
Gruenewald, M.1
Schirra, L.K.2
Winget, P.3
Kozlik, M.4
Ndione, P.F.5
Sigdel, A.K.6
Berry, J.J.7
Forker, R.8
Bredas, J.-L.9
Fritz, T.10
-
59
-
-
65249159072
-
Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed
-
Perdew, J. P.; Ruzsinszky, A.; Constantin, L. A.; Sun, J.; Csonka, G. I. Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed J. Chem. Theory Comput. 2009, 5, 902-908
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 902-908
-
-
Perdew, J.P.1
Ruzsinszky, A.2
Constantin, L.A.3
Sun, J.4
Csonka, G.I.5
-
60
-
-
0000939612
-
The Electron Affinity of Tetracyanoethylene and Other Organic Electron Acceptors
-
Lyons, L.; Palmer, L. The Electron Affinity of Tetracyanoethylene and Other Organic Electron Acceptors Aust. J. Chem. 1976, 29, 1919-1929
-
(1976)
Aust. J. Chem.
, vol.29
, pp. 1919-1929
-
-
Lyons, L.1
Palmer, L.2
-
61
-
-
33845373641
-
Electron Affinities of Di- and Tetracyanoethylene and Cyanobenzenes Based on Measurements of Gas-Phase Electron-Transfer Equilibria
-
Chowdhury, S.; Kebarle, P. Electron Affinities of Di- and Tetracyanoethylene and Cyanobenzenes Based on Measurements of Gas-Phase Electron-Transfer Equilibria J. Am. Chem. Soc. 1986, 108, 5453-5459
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 5453-5459
-
-
Chowdhury, S.1
Kebarle, P.2
-
62
-
-
33947479413
-
Chemistry of Tetracyanoethylene Anion Radical
-
Webster, O. W.; Mahler, W.; Benson, R. E. Chemistry of Tetracyanoethylene Anion Radical J. Am. Chem. Soc. 1962, 84, 3678-3684
-
(1962)
J. Am. Chem. Soc.
, vol.84
, pp. 3678-3684
-
-
Webster, O.W.1
Mahler, W.2
Benson, R.E.3
-
63
-
-
0024051868
-
Infrared Spectroscopic Study of the Molecular Structure of Some Transition Metal TCNE Complexes
-
Shabaka, A. A.; El-Behery, K. M.; Fadly, M. Infrared Spectroscopic Study of the Molecular Structure of Some Transition Metal TCNE Complexes J. Mater. Sci. Lett. 1988, 7, 685-687
-
(1988)
J. Mater. Sci. Lett.
, vol.7
, pp. 685-687
-
-
Shabaka, A.A.1
El-Behery, K.M.2
Fadly, M.3
-
64
-
-
65649086751
-
F4TCNQ on Cu, Ag, and Au as Prototypical Example for a Strong Organic Acceptor on Coinage Metals
-
Rangger, G.; Hofmann, O.; Romaner, L.; Heimel, G.; Bröker, B.; Blum, R.-P.; Johnson, R.; Koch, N.; Zojer, E. F4TCNQ on Cu, Ag, and Au as Prototypical Example for a Strong Organic Acceptor on Coinage Metals Phys. Rev. B 2009, 79 165306
-
(2009)
Phys. Rev. B
, vol.79
, pp. 165306
-
-
Rangger, G.1
Hofmann, O.2
Romaner, L.3
Heimel, G.4
Bröker, B.5
Blum, R.-P.6
Johnson, R.7
Koch, N.8
Zojer, E.9
-
65
-
-
38749149101
-
Single-Molecule Charge Transfer and Bonding at an Organic/Inorganic Interface: Tetracyanoethylene on Noble Metals
-
Wegner, D.; Yamachika, R.; Wang, Y.; Brar, V. W.; Bartlett, B. M.; Long, J. R.; Crommie, M. F. Single-Molecule Charge Transfer and Bonding at an Organic/Inorganic Interface: Tetracyanoethylene on Noble Metals Nano Lett. 2008, 8, 131-135
-
(2008)
Nano Lett.
, vol.8
, pp. 131-135
-
-
Wegner, D.1
Yamachika, R.2
Wang, Y.3
Brar, V.W.4
Bartlett, B.M.5
Long, J.R.6
Crommie, M.F.7
-
66
-
-
56849109627
-
Strongly Reshaped Organic-Metal Interfaces: Tetracyanoethylene on Cu(100)
-
Bedwani, S.; Wegner, D.; Crommie, M.; Rochefort, A. Strongly Reshaped Organic-Metal Interfaces: Tetracyanoethylene on Cu(100) Phys. Rev. Lett. 2008, 101 216105
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 216105
-
-
Bedwani, S.1
Wegner, D.2
Crommie, M.3
Rochefort, A.4
-
67
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
68
-
-
61349180195
-
Accurate Molecular Van der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
-
Tkatchenko, A.; Scheffler, M. Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data Phys. Rev. Lett. 2009, 102, 073005
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 073005
-
-
Tkatchenko, A.1
Scheffler, M.2
-
69
-
-
84857697633
-
Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems
-
Ruiz, V.; Liu, W.; Zojer, E.; Scheffler, M.; Tkatchenko, A. Density-Functional Theory with Screened van Der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems Phys. Rev. Lett. 2012, 108 146103
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 146103
-
-
Ruiz, V.1
Liu, W.2
Zojer, E.3
Scheffler, M.4
Tkatchenko, A.5
-
70
-
-
79952584870
-
Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene-Tetracyanoquinodimethane (TTF-TCNQ) as a Model Case
-
Sini, G.; Sears, J. S.; Brédas, J.-L. Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene-Tetracyanoquinodimethane (TTF-TCNQ) as a Model Case J. Chem. Theory Comput. 2011, 7, 602-609
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 602-609
-
-
Sini, G.1
Sears, J.S.2
Brédas, J.-L.3
-
71
-
-
80555154074
-
Electronic Level Alignment at a Metal-Molecule Interface from a Short-Range Hybrid Functional
-
Biller, A.; Tamblyn, I.; Neaton, J. B.; Kronik, L. Electronic Level Alignment at a Metal-Molecule Interface from a Short-Range Hybrid Functional J. Chem. Phys. 2011, 135 164706
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 164706
-
-
Biller, A.1
Tamblyn, I.2
Neaton, J.B.3
Kronik, L.4
-
72
-
-
68849127886
-
Controlling Polarization at Insulating Surfaces: Quasiparticle Calculations for Molecules Adsorbed on Insulator Films
-
Freysoldt, C.; Rinke, P.; Scheffler, M. Controlling Polarization at Insulating Surfaces: Quasiparticle Calculations for Molecules Adsorbed on Insulator Films Phys. Rev. Lett. 2009, 103 056803
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 056803
-
-
Freysoldt, C.1
Rinke, P.2
Scheffler, M.3
-
73
-
-
0037179326
-
Exchangelike Effects for Closed-Shell Adsorbates: Interface Dipole and Work Function
-
Bagus, P.; Staemmler, V.; Wöll, C. Exchangelike Effects for Closed-Shell Adsorbates: Interface Dipole and Work Function Phys. Rev. Lett. 2002, 89 096104
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 096104
-
-
Bagus, P.1
Staemmler, V.2
Wöll, C.3
-
74
-
-
78449282205
-
Work-Function Modification beyond Pinning: When Do Molecular Dipoles Count?
-
Hofmann, O. T.; Egger, D. A.; Zojer, E. Work-Function Modification beyond Pinning: When Do Molecular Dipoles Count? Nano Lett. 2010, 10, 4369-4374
-
(2010)
Nano Lett.
, vol.10
, pp. 4369-4374
-
-
Hofmann, O.T.1
Egger, D.A.2
Zojer, E.3
-
75
-
-
0342953178
-
Chemisorption on Metal Surfaces
-
Norsko, J. K. Chemisorption on Metal Surfaces Rep. Prog. Phys. 1990, 53, 1253-1295
-
(1990)
Rep. Prog. Phys.
, vol.53
, pp. 1253-1295
-
-
Norsko, J.K.1
-
76
-
-
0000295366
-
The Nature of the Bonding of CN to Metals and Organic Molecules
-
Nelin, C. J.; Bagus, P. S.; Philpott, M. R. The Nature of the Bonding of CN to Metals and Organic Molecules J. Chem. Phys. 1987, 87, 2170-2176
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 2170-2176
-
-
Nelin, C.J.1
Bagus, P.S.2
Philpott, M.R.3
-
77
-
-
61349096056
-
Quantum-Chemical Characterization of the Origin of Dipole Formation at Molecular Organic/Organic Interfaces
-
Avilov, I.; Geskin, V.; Cornil, J. Quantum-Chemical Characterization of the Origin of Dipole Formation at Molecular Organic/Organic Interfaces Adv. Funct. Mater. 2009, 19, 624-633
-
(2009)
Adv. Funct. Mater.
, vol.19
, pp. 624-633
-
-
Avilov, I.1
Geskin, V.2
Cornil, J.3
-
78
-
-
33947318633
-
Density Functionals That Are One- and Two- Are Not Always Many-Electron Self-Interaction-Free, as Shown for H2+, He2+, LiH+, and Ne2+
-
Ruzsinszky, A.; Perdew, J. P.; Csonka, G. I.; Vydrov, O. A.; Scuseria, G. E. Density Functionals That Are One- and Two- Are Not Always Many-Electron Self-Interaction-Free, as Shown for H2+, He2+, LiH+, and Ne2+ J. Chem. Phys. 2007, 126 104102
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 104102
-
-
Ruzsinszky, A.1
Perdew, J.P.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
-
79
-
-
33845342553
-
Spurious Fractional Charge on Dissociated Atoms: Pervasive and Resilient Self-Interaction Error of Common Density Functionals
-
Ruzsinszky, A.; Perdew, J. P.; Csonka, G. I.; Vydrov, O. A.; Scuseria, G. E. Spurious Fractional Charge on Dissociated Atoms: Pervasive and Resilient Self-Interaction Error of Common Density Functionals J. Chem. Phys. 2006, 125 194112
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 194112
-
-
Ruzsinszky, A.1
Perdew, J.P.2
Csonka, G.I.3
Vydrov, O.A.4
Scuseria, G.E.5
-
80
-
-
35248875310
-
Exchange and Correlation in Open Systems of Fluctuating Electron Number
-
Perdew, J.; Ruzsinszky, A.; Csonka, G.; Vydrov, O.; Scuseria, G.; Staroverov, V.; Tao, J. Exchange and Correlation in Open Systems of Fluctuating Electron Number Phys. Rev. A 2007, 76 040501(R)
-
(2007)
Phys. Rev. A
, vol.76
, pp. 040501R
-
-
Perdew, J.1
Ruzsinszky, A.2
Csonka, G.3
Vydrov, O.4
Scuseria, G.5
Staroverov, V.6
Tao, J.7
-
81
-
-
26144450583
-
Self-Interaction Correction to Density-Functional Approximations for Many-Electron Systems
-
Perdew, J. P. Self-Interaction Correction to Density-Functional Approximations for Many-Electron Systems Phys. Rev. B 1981, 23, 5048-5079
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048-5079
-
-
Perdew, J.P.1
-
82
-
-
0001475454
-
Toward Reliable Density Functional Methods without Adjustable Parameters: The PBE0Model
-
Adamo, C.; Barone, V. Toward Reliable Density Functional Methods without Adjustable Parameters: The PBE0Model J. Chem. Phys. 1999, 110, 6158
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6158
-
-
Adamo, C.1
Barone, V.2
-
83
-
-
0037437935
-
Modeling Charge Self-Trapping in Wide-Gap Dielectrics: Localization Problem in Local Density Functionals
-
Gavartin, J. L.; Sushko, P. V.; Shluger, A. L. Modeling Charge Self-Trapping in Wide-Gap Dielectrics: Localization Problem in Local Density Functionals Phys. Rev. B 2003, 67 035108
-
(2003)
Phys. Rev. B
, vol.67
, pp. 035108
-
-
Gavartin, J.L.1
Sushko, P.V.2
Shluger, A.L.3
-
84
-
-
41949121296
-
Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction
-
Mori-Sánchez, P.; Cohen, A.; Yang, W. Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction Phys. Rev. Lett. 2008, 100 146401
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 146401
-
-
Mori-Sánchez, P.1
Cohen, A.2
Yang, W.3
-
85
-
-
77954965064
-
Intrinsic Defects in ZnO Calculated by Screened Exchange and Hybrid Density Functionals
-
Clark, S. J.; Robertson, J.; Lany, S.; Zunger, A. Intrinsic Defects in ZnO Calculated by Screened Exchange and Hybrid Density Functionals Phys. Rev. B 2010, 81 115311
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115311
-
-
Clark, S.J.1
Robertson, J.2
Lany, S.3
Zunger, A.4
-
86
-
-
79960633366
-
Hole Localization in Molecular Crystals from Hybrid Density Functional Theory
-
Sai, N.; Barbara, P. F.; Leung, K. Hole Localization in Molecular Crystals from Hybrid Density Functional Theory Phys. Rev. Lett. 2011, 106 226403
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 226403
-
-
Sai, N.1
Barbara, P.F.2
Leung, K.3
-
87
-
-
84906866533
-
Organic Electronic Materials: Recent Advances in the DFT Description of the Ground and Excited States Using Tuned Range-Separated Hybrid Functionals
-
Körzdörfer, T.; Brédas, J.-L. Organic Electronic Materials: Recent Advances in the DFT Description of the Ground and Excited States Using Tuned Range-Separated Hybrid Functionals Acc. Chem. Res. 2014, 47, 3284-3291
-
(2014)
Acc. Chem. Res.
, vol.47
, pp. 3284-3291
-
-
Körzdörfer, T.1
Brédas, J.-L.2
-
88
-
-
84860717886
-
Excitation Gaps of Finite-Sized Systems from Optimally-Tuned Range-Separated Hybrid Functionals
-
Kronik, L.; Stein, T.; Refaely-Abramson, S.; Baer, R. Excitation Gaps of Finite-Sized Systems from Optimally-Tuned Range-Separated Hybrid Functionals J. Chem. Theory Comput. 2012, 8, 1515-1531
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 1515-1531
-
-
Kronik, L.1
Stein, T.2
Refaely-Abramson, S.3
Baer, R.4
-
89
-
-
84879337642
-
Using Optimally Tuned Range Separated Hybrid Functionals in Ground-State Calculations: Consequences and Caveats
-
Karolewski, A.; Kronik, L.; Kümmel, S. Using Optimally Tuned Range Separated Hybrid Functionals in Ground-State Calculations: Consequences and Caveats J. Chem. Phys. 2013, 138 204115
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 204115
-
-
Karolewski, A.1
Kronik, L.2
Kümmel, S.3
-
90
-
-
34547187613
-
Why Does the B3LYP Hybrid Functional Fail for Metals?
-
Paier, J.; Marsman, M.; Kresse, G. Why Does the B3LYP Hybrid Functional Fail for Metals? J. Chem. Phys. 2007, 127 024103
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 024103
-
-
Paier, J.1
Marsman, M.2
Kresse, G.3
-
91
-
-
84884191629
-
Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal Compounds
-
Zhang, W.; Truhlar, D. G.; Tang, M. Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal Compounds J. Chem. Theory Comput. 2013, 9, 3965-3977
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 3965-3977
-
-
Zhang, W.1
Truhlar, D.G.2
Tang, M.3
-
92
-
-
84891793869
-
Interface Dipoles of Organic Molecules on Ag(111) in Hybrid Density-Functional Theory
-
Hofmann, O. T.; Atalla, V.; Moll, N.; Rinke, P.; Scheffler, M. Interface Dipoles of Organic Molecules on Ag(111) in Hybrid Density-Functional Theory New J. Phys. 2013, 15 123028
-
(2013)
New J. Phys.
, vol.15
, pp. 123028
-
-
Hofmann, O.T.1
Atalla, V.2
Moll, N.3
Rinke, P.4
Scheffler, M.5
-
93
-
-
84867006351
-
On the Relationship between Bond-Length Alternation and Many-Electron Self-Interaction Error
-
Körzdörfer, T.; Parrish, R. M.; Sears, J. S.; Sherrill, C. D.; Brédas, J.-L. On the Relationship between Bond-Length Alternation and Many-Electron Self-Interaction Error J. Chem. Phys. 2012, 137, 124305
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 124305
-
-
Körzdörfer, T.1
Parrish, R.M.2
Sears, J.S.3
Sherrill, C.D.4
Brédas, J.-L.5
-
94
-
-
0001153427
-
Atomically Resolved Edges and Kinks of NaCl Islands on Cu(111): Experiment and Theory
-
Bennewitz, R.; Foster, A.; Kantorovich, L.; Bammerlin, M.; Loppacher, C.; Schär, S.; Guggisberg, M.; Meyer, E.; Shluger, A. Atomically Resolved Edges and Kinks of NaCl Islands on Cu(111): Experiment and Theory Phys. Rev. B 2000, 62, 2074-2084
-
(2000)
Phys. Rev. B
, vol.62
, pp. 2074-2084
-
-
Bennewitz, R.1
Foster, A.2
Kantorovich, L.3
Bammerlin, M.4
Loppacher, C.5
Schär, S.6
Guggisberg, M.7
Meyer, E.8
Shluger, A.9
-
95
-
-
18144386607
-
Molecules on Insulating Films: Scanning-Tunneling Microscopy Imaging of Individual Molecular Orbitals
-
Repp, J.; Meyer, G.; Stojković, S. M.; Gourdon, A.; Joachim, C. Molecules on Insulating Films: Scanning-Tunneling Microscopy Imaging of Individual Molecular Orbitals Phys. Rev. Lett. 2005, 94 26803
-
(2005)
Phys. Rev. Lett.
, vol.94
, pp. 26803
-
-
Repp, J.1
Meyer, G.2
Stojković, S.M.3
Gourdon, A.4
Joachim, C.5
-
96
-
-
33744496274
-
Imaging Bond Formation between a Gold Atom and Pentacene on an Insulating Surface
-
Repp, J. Imaging Bond Formation Between a Gold Atom and Pentacene on an Insulating Surface Science 2006, 312, 1196-1199
-
(2006)
Science
, vol.312
, pp. 1196-1199
-
-
Repp, J.1
-
97
-
-
65149094744
-
STM Images of a Large Organic Molecule Adsorbed on a Bare Metal Substrate or on a Thin Insulating Layer: Visualization of HOMO and LUMO
-
Villagomez, C. J.; Zambelli, T.; Gauthier, S.; Gourdon, A.; Stojkovic, S.; Joachim, C. STM Images of a Large Organic Molecule Adsorbed on a Bare Metal Substrate or on a Thin Insulating Layer: Visualization of HOMO and LUMO Surf. Sci. 2009, 603, 1526-1532
-
(2009)
Surf. Sci.
, vol.603
, pp. 1526-1532
-
-
Villagomez, C.J.1
Zambelli, T.2
Gauthier, S.3
Gourdon, A.4
Stojkovic, S.5
Joachim, C.6
-
98
-
-
84859622351
-
Imaging the Charge Distribution within a Single Molecule
-
Mohn, F.; Gross, L.; Moll, N.; Meyer, G. Imaging the Charge Distribution within a Single Molecule Nat. Nanotechnol. 2012, 7, 227-231
-
(2012)
Nat. Nanotechnol.
, vol.7
, pp. 227-231
-
-
Mohn, F.1
Gross, L.2
Moll, N.3
Meyer, G.4
-
99
-
-
79960395661
-
PTCDA on Cu(111) Partially Covered with NaCl
-
Karacuban, H.; Koch, S.; Fendrich, M.; Wagner, T.; Möller, R. PTCDA on Cu(111) Partially Covered with NaCl Nanotechnology 2011, 22 295305
-
(2011)
Nanotechnology
, vol.22
, pp. 295305
-
-
Karacuban, H.1
Koch, S.2
Fendrich, M.3
Wagner, T.4
Möller, R.5
-
100
-
-
84902831118
-
Organic Semiconductor Density of States Controls the Energy Level Alignment at Electrode Interfaces
-
Oehzelt, M.; Koch, N.; Heimel, G. Organic Semiconductor Density of States Controls the Energy Level Alignment at Electrode Interfaces Nat. Commun. 2014, 5, 4174
-
(2014)
Nat. Commun.
, vol.5
, pp. 4174
-
-
Oehzelt, M.1
Koch, N.2
Heimel, G.3
-
101
-
-
84930640755
-
-
Private communication.
-
Wegner, D. Private communication.
-
-
-
Wegner, D.1
-
102
-
-
84873148747
-
Role of Charge Transfer, Dipole-Dipole Interactions, and Electrostatics in Fermi-Level Pinning at a Molecular Heterojunction on a Metal Surface
-
Amsalem, P.; Niederhausen, J.; Wilke, A.; Heimel, G.; Schlesinger, R.; Winkler, S.; Vollmer, A.; Rabe, J. P.; Koch, N. Role of Charge Transfer, Dipole-Dipole Interactions, and Electrostatics in Fermi-Level Pinning at a Molecular Heterojunction on a Metal Surface Phys. Rev. B 2013, 87 035440
-
(2013)
Phys. Rev. B
, vol.87
, pp. 035440
-
-
Amsalem, P.1
Niederhausen, J.2
Wilke, A.3
Heimel, G.4
Schlesinger, R.5
Winkler, S.6
Vollmer, A.7
Rabe, J.P.8
Koch, N.9
-
103
-
-
84864567497
-
Calculation of Core Level Shifts within DFT Using Pseudopotentials and Localized Basis Sets
-
García-Gil, S.; García, A.; Ordejón, P. Calculation of Core Level Shifts within DFT Using Pseudopotentials and Localized Basis Sets Eur. Phys. J. B 2012, 85, 239
-
(2012)
Eur. Phys. J. B
, vol.85
, pp. 239
-
-
García-Gil, S.1
García, A.2
Ordejón, P.3
-
104
-
-
0027591623
-
Ab-Initio Calculations of the Initial- and Final-State Effects on the Surface Core-Level Shift of Transition Metals
-
Methfessel, M.; Hennig, D.; Scheffler, M. Ab-Initio Calculations of the Initial- and Final-State Effects on the Surface Core-Level Shift of Transition Metals Surf. Sci. 1993, 287-288, 785-788
-
(1993)
Surf. Sci.
, vol.287-288
, pp. 785-788
-
-
Methfessel, M.1
Hennig, D.2
Scheffler, M.3
-
105
-
-
44049120627
-
Self-Consistent Study of the Electronic and Structural Properties of the Clean Si(001)(2 × 1) Surface
-
Dabrowski, J.; Scheffler, M. Self-Consistent Study of the Electronic and Structural Properties of the Clean Si(001)(2 × 1) Surface Appl. Surf. Sci. 1992, 56-58, 15-19
-
(1992)
Appl. Surf. Sci.
, vol.5658
, pp. 15-19
-
-
Dabrowski, J.1
Scheffler, M.2
-
106
-
-
38049107398
-
Electronic Structure of Thiol-Bonded Self-Assembled Monolayers: Impact of Coverage
-
Romaner, L.; Heimel, G.; Zojer, E. Electronic Structure of Thiol-Bonded Self-Assembled Monolayers: Impact of Coverage Phys. Rev. B 2008, 77, 045113
-
(2008)
Phys. Rev. B
, vol.77
, pp. 045113
-
-
Romaner, L.1
Heimel, G.2
Zojer, E.3
-
107
-
-
84907478527
-
Impact of Collective Electrostatic Effects on Charge Transport through Molecular Monolayers
-
Obersteiner, V.; Egger, D. A.; Heimel, G.; Zojer, E. Impact of Collective Electrostatic Effects on Charge Transport through Molecular Monolayers J. Phys. Chem. C 2014, 118, 22395-22401
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 22395-22401
-
-
Obersteiner, V.1
Egger, D.A.2
Heimel, G.3
Zojer, E.4
-
108
-
-
0002242734
-
On the Mutual Potential Energy of a Plane Network of Doublets
-
Topping, J. On the Mutual Potential Energy of a Plane Network of Doublets Proc. R. Soc. Math. Phys. Eng. Sci. 1927, 114, 67-72
-
(1927)
Proc. R. Soc. Math. Phys. Eng. Sci.
, vol.114
, pp. 67-72
-
-
Topping, J.1
-
109
-
-
41149131198
-
Orientation-Dependent Ionization Energies and Interface Dipoles in Ordered Molecular Assemblies
-
Duhm, S.; Heimel, G.; Salzmann, I.; Glowatzki, H.; Johnson, R. L.; Vollmer, A.; Rabe, J. P.; Koch, N. Orientation-Dependent Ionization Energies and Interface Dipoles in Ordered Molecular Assemblies Nat. Mater. 2008, 7, 326-332
-
(2008)
Nat. Mater.
, vol.7
, pp. 326-332
-
-
Duhm, S.1
Heimel, G.2
Salzmann, I.3
Glowatzki, H.4
Johnson, R.L.5
Vollmer, A.6
Rabe, J.P.7
Koch, N.8
-
110
-
-
84893875084
-
Band-Bending in Organic Semiconductors: The Role of Alkali-Halide Interlayers
-
Wang, H.; Amsalem, P.; Heimel, G.; Salzmann, I.; Koch, N.; Oehzelt, M. Band-Bending in Organic Semiconductors: The Role of Alkali-Halide Interlayers Adv. Mater. 2014, 26, 925-930
-
(2014)
Adv. Mater.
, vol.26
, pp. 925-930
-
-
Wang, H.1
Amsalem, P.2
Heimel, G.3
Salzmann, I.4
Koch, N.5
Oehzelt, M.6
-
111
-
-
70149102016
-
Ab Initio Molecular Simulations with Numeric Atom-Centered Orbitals
-
Blum, V.; Gehrke, R.; Hanke, F.; Havu, P.; Havu, V.; Ren, X.; Reuter, K.; Scheffler, M. Ab Initio Molecular Simulations with Numeric Atom-Centered Orbitals Comput. Phys. Commun. 2009, 180, 2175-2196
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 2175-2196
-
-
Blum, V.1
Gehrke, R.2
Hanke, F.3
Havu, P.4
Havu, V.5
Ren, X.6
Reuter, K.7
Scheffler, M.8
-
112
-
-
0001322105
-
Rationale for Mixing Exact Exchange with Density Functional Approximations
-
Perdew, J. P.; Ernzerhof, M.; Burke, K. Rationale for Mixing Exact Exchange with Density Functional Approximations J. Chem. Phys. 1996, 105, 9982-9985
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 9982-9985
-
-
Perdew, J.P.1
Ernzerhof, M.2
Burke, K.3
-
113
-
-
83655203011
-
Van der Waals Interactions in Ionic and Semiconductor Solids
-
Zhang, G.-X.; Tkatchenko, A.; Paier, J.; Appel, H.; Scheffler, M. Van Der Waals Interactions in Ionic and Semiconductor Solids Phys. Rev. Lett. 2011, 107 245501
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 245501
-
-
Zhang, G.-X.1
Tkatchenko, A.2
Paier, J.3
Appel, H.4
Scheffler, M.5
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