Structure and bonding of large aromatic molecules on noble metal surfaces: The example of PTCDA

Progress in Surface Science

Volumn 82, Issue 9-12, 2007, Pages 479-520

  Tautz, F S ^a  

^a FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; COPPER; SILVER; SPECTROSCOPIC ANALYSIS;

AROMATIC MOLECULES; CONJUGATED ELECTRON SYSTEMS; MATERIAL SYSTEMS; MOLECULE ADSORPTION;

AROMATIC COMPOUNDS;

EID: 36348982062     PISSN: 00796816     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.progsurf.2007.09.001     Document Type: Review

References (204)

1. Bulovic V., Burrows P.E., and Forrest S.R. Molecular organic light-emitting devices. Electroluminescence 64 (2000) 255-306
2. Dodabalapur A. Organic light emitting diodes. Solid State Communications 102 (1997) 259-267
3. Horowitz G. Organic thin film transistors: from theory to real devices. Journal of Materials Research 19 (2004) 1946-1962
4. Hoppe H., and Sariciftci N.S. Organic solar cells: an overview. Journal of Materials Research 19 (2004) 1924-1945
5. Umbach E. Characterization of organic overlayers on well-defined substrates. Progress in Surface Science 35 (1990) 113-127
6. Forrest S.R. Ultrathin organic films grown by organic molecular beam deposition and related techniques. Chemical Reviews 97 (1997) 1793-1896
7. Hooks D.E., Fritz T., and Ward M.D. Epitaxy and molecular organization on solid substrates. Advanced Materials 13 (2001) 227-241
8. Seki K., et al. Electronic structure of organic/metal interfaces. Thin Solid Films 393 (2001) 298-303
9. Samori P., and Rabe J.P. Scanning probe microscopy explorations on conjugated (macro)molecular architectures for molecular electronics. Journal of Physics: Condensed Matter 14 (2002) 9955-9973
10. Barlow S.M., and Raval R. Complex organic molecules at metal surfaces: bonding, organisation and chirality. Surface Science Reports 50 (2003) 201-341
11. Cahen D., and Kahn A. Electron energetics at surfaces and interfaces: concepts and experiments. Advanced Materials 15 (2003) 271-277
12. Gao W., and Kahn A. Electrical doping: the impact on interfaces of π-conjugated molecular films. Journal of Physics: Condensed Matter 15 (2003) S2757-S2770
13. Scott J.C. Metal-organic interface and charge injection in organic electronic devices. Journal of Vacuum Science & Technology A (Vacuum, Surfaces, and Films) 21 (2003) 521-531
14. Rosei F., et al. Properties of large organic molecules on metal surfaces. Progress in Surface Science 71 (2003) 95-146
15. Humblot V., Barlow S.M., and Raval R. Two-dimensional organisational chirality through supramolecular assembly of molecules at metal surfaces. Progress in Surface Science 76 (2004) 1-19
16. Schreiber F. Organic molecular beam deposition: growth studies beyond the first monolayer. Physica Status Solidi A 201 (2004) 1037-1054
17. Witte G., and Wöll C. Growth of aromatic molecules on solid substrates for applications in organic electronics. Journal of Materials Research 19 (2004) 1889-1916
18. Zhu X.Y. Electronic structure and electron dynamics at molecule-metal interfaces: implications for molecule-based electronics. Surface Science Reports 56 (2004) 1-83
19. Forrest S.R. Organic-inorganic semiconductor devices and 3,4,9,10-perylenetetracarboxylic-dianhydride: an early history of organic electronics. Journal of Physics: Condensed Matter 15 (2003) S2599-S2610
20. Gebauer W., Bassler M., Fink R., Sokolowski M., and Umbach E. New insight into the optical properties of thin organic films by epitaxial preparation. Chemical Physics Letters 266 (1997) 177-183
21. Würthner F. Perylene bisimide dyes as versatile building blocks for functional supramolecular architectures. Chemical Communications (2004) 1564-1579
22. Lovinger A.J., Forrest S.R., Kaplan M.L., Schmidt P.H., and Venkatesan T. Structural and morphological investigation of the development of electrical conductivity in ion-irradiated thin films of an organic material. Journal of Applied Physics 55 (1984) 476-482
23. Möbus M., Karl N., and Kobayashi T. Structure of perylene-tetracarboxylic-dianhydride thin films on alkali halide crystal substrates. Journal of Crystal Growth 116 (1992) 495-504
24. Ogawa T., Kuwamoto K., Isoda S., Kobayashi T., and Karl N. 3,4,9,10-perylenetetracarboxylic-dianhydride (PTCDA) by electron crystallography. Acta Crystallographica Section B-Structural Science 55 (1999) 123-130
25. Yamane H., et al. Intermolecular energy-band dispersion in PTCDA multilayers. Physical Review B 68 (2003) 033102
26. Karl N. Charge carrier transport in organic semiconductors. Synthetic Metals 133-134 (2003) 649-657
27. Proehl H., Dienel T., Nitsche R., and Fritz T. Formation of solid-state excitons in ultrathin crystalline films of PTCDA: from single molecules to molecular stacks. Physical Review Letters 93 (2004) 097403
28. Umbach E., Glöckler K., and Sokolowski M. Surface architecture with large organic molecules: interface order and epitaxy. Surface Science (1998) 20-31
29. Umbach E., Sokolowski M., and Fink R. Substrate-interaction, long-range order, and epitaxy of large organic adsorbates. Applied Physics A (Materials Science Processing) 63 (1996) 565-576
30. Jung M., et al. The electronic-structure of adsorbed aromatic-molecules - perylene and PTCDA on Si(1 1 1) and Ag(1 1 1). Journal of Molecular Structure 293 (1993) 239-244
31. Taborski J., Väterlein P., Dietz H., Zimmermann U., and Umbach E. NEXAFS investigations on ordered adsorbate layers of large aromatic molecules. Journal of Electron Spectroscopy and Related Phenomena 75 (1995) 129-147
32. Umbach E., Seidel C., Taborski J., Li R., and Soukopp A. Highly-ordered organic adsorbates: commensurate superstructures, OMBE, and 1D nanostructures. Physica Status Solidi B 192 (1995) 389-406
33. Glöckler K., et al. Highly ordered structures and submolecular scanning tunnelling microscopy contrast of PTCDA and DM-PBDCI monolayers on Ag(1 1 1) and Ag(1 1 0). Surface Science 405 (1998) 1-20
34. Shklover V., et al. Differences in vibronic and electronic excitations of PTCDA on Ag(1 1 1) and Ag(1 1 0). Surface Science (2000) 60-66
35. Tautz F.S., et al. Substrate influence on the ordering of organic submonolayers: a comparative study of PTCDA on Ag(1 1 0) and Ag(1 1 1) using HREELS. Applied Surface Science 166 (2000) 363-369
36. Wagner V. Raman analysis of ordered organic monolayers on metal surfaces. Physica Status Solidi A 188 (2001) 1297-1305
37. Krause B., et al. On the coexistence of different polymorphs in organic epitaxy: α and β phase of PTCDA on Ag(1 1 1). Applied Surface Science 175 (2001) 332-336
38. Schreiber M., Scholz R., Vragovic B., Shklover V., and Tautz F.S. Dielectric response of the electronic transitions in ultrathin PTCDA layers grown on Ag(1 1 1) and Ag(1 1 0) substrates. Nonlinear Optics, Principles, Materials, Phenomena, and Devices 29 (2002) 239-245
39. M. Eremtchenko et al., Influence of a low temperature chemisorption precursor on the PTCDA/Ag(1 1 1) interface structure, in: Proceedings of the 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science, Lund Univ. 2002, 2, 2002.
40. Tautz F.S., et al. A comparison of the chemisorption behaviour of PTCDA on different Ag surfaces. Surface Science (2002) 176-184
41. Tautz F.S., et al. Strong electron-phonon coupling at a metal/organic interface: PTCDA/Ag(1 1 1). Physical Review B 65 (2002) 125405
42. Krause B., et al. Structure and growth morphology of an archetypal system for organic epitaxy: PTCDA on Ag(1 1 1). Physical Review B 66 (2002) 235404
43. Krause B., Durr A.C., Schreiber F., Dosch H., and Seeck O.H. Thermal stability and partial dewetting of crystalline organic thin films: 3,4,9,10-perylene-tetracarboxylic-dianhydride on Ag(1 1 1). Journal of Chemical Physics 119 (2003) 3429-3435
44. Chkoda L., et al. Temperature-dependent morphology and structure of ordered 3,4,9,10-perylene-tetracarboxylic acid-dianhydride (PTCDA) thin films on Ag(1 1 1). Chemical Physics Letters 371 (2003) 548-552
45. Wagner V., Muck T., Geurts J., Schneider M., and Umbach E. Raman analysis of first monolayers of PTCDA on Ag(1 1 1). Applied Surface Science (2003) 520-524
46. Eremtchenko M., Schaefer J.A., and Tautz F.S. Understanding and tuning the epitaxy of large aromatic adsorbates by molecular design. Nature 425 (2003) 602-605
47. Picozzi S., et al. Schottky barrier height at an organic/metal junction: a first-principles study of PTCDA/X (X=Al, Ag) contacts. Physical Review B 68 (2003) 195309
48. Eremtchenko M., Bauer D., Schaefer J.A., and Tautz F.S. Polycyclic aromates on close-packed metal surfaces: functionalization, molecular chemisorption and organic epitaxy. New Journal of Physics 6 (2004) 4
49. Gebauer W., Langner A., Schneider M., Sokolowski M., and Umbach E. Luminescence quenching of ordered π-conjugated molecules near a metal surface: quaterthiophene and PTCDA on Ag(1 1 1). Physical Review B 69 (2004) 155431
50. Kilian L., Umbach E., and Sokolowski M. Molecular beam epitaxy of organic films investigated by high resolution low energy electron diffraction (SPA-LEED): 3,4,9,10-perylenetetracarboxylicacid-dianhydride (PTCDA) on Ag(1 1 1). Surface Science 573 (2004) 359-378
51. Hauschild A., et al. Molecular distortions and chemical bonding of a large π-conjugated molecule on a metal surface. Physical Review Letters 94 (2005) 036106
52. Rurali R., Lorente N., and Ordejon P. Comment on "Molecular distortions and chemical bonding of a large π-conjugated molecule on a metal surface [PRL 94, 036016 (2005)]. Physical Review Letters 95 (2005) 209601
53. Hauschild A., et al. Reply. Physical Review Letters 95 (2005) 209602
54. Du S.X., et al. Selective nontemplated adsorption of organic molecules on nanofacets and the role of bonding patterns. Physical Review Letters 97 (2006) 156105
55. Kraft A., et al. Lateral adsorption geometry and site-specific electronic structure of a large organic chemisorbate on a metal surface. Physical Review B 74 (2006) 041402
56. Temirov R., Soubatch S., Luican A., and Tautz F.S. Free-electron-like dispersion in an organic monolayer film on a metal substrate. Nature 444 (2006) 350-353
57. Zou Y., et al. Chemical bonding of PTCDA on Ag surfaces and the formation of interface states. Surface Science 600 (2006) 1240-1251
58. Marchetto H., et al. Influence of substrate morphology on organic layer growth: PTCDA on Ag(1 1 1). Chemical Physics 325 (2006) 178-184
59. Sokolowski M., Schneider M., and Umbach E. Growth-dependent optical properties of 3,4,9,10-perylenetetracarboxylicacid-dianhydride (PTCDA) films on Ag(1 1 1). Chemical Physics 325 (2006) 185-192
60. Henze S.K.M., Bauer O., Lee T.L., Sokolowski M., and Tautz F.S. Vertical bonding distances of PTCDA on Au(1 1 1) and Ag(1 1 1): relation to the bonding type. Surface Science 601 (2007) 1566-1573
61. Rohlfing M., Temirov R., and Tautz F.S. Adsorption structure and scanning-tunneling data of a prototype organic-inorganic interface: PTCDA on Ag(1 1 1). Physical Review B 76 (2007) 115421
62. Loppacher C., et al. Adsorption of PTCDA on a partially KBr covered Ag(1 1 1) substrate. Nanotechnology 17 (2006) 1568-1573
63. Jalkanen J.P., and Zerbetto F. Interaction model for the adsorption of organic molecules on the silver surface. Journal of Physical Chemistry B 110 (2006) 5595-5601
64. Böhringer M., et al. Corrugation reversal in scanning tunneling microscope images of organic molecules. Physical Review B 57 (1998) 4081-4087
65. Böhringer M., Schneider W.D., Glöckler K., Umbach E., and Berndt R. Adsorption site determination of PTCDA on Ag(1 1 0) by manipulation of adatoms. Surface Science 419 (1998) L95-L99
66. Gotsmann B., Schmidt C., Seidel C., and Fuchs H. Molecular resolution of an organic monolayer by dynamic AFM. European Physical Journal B 4 (1998) 267-268
67. Seidel C., Awater C., Liu X.D., Ellerbrake R., and Fuchs H. A combined STM, LEED and molecular modelling study of PTCDA grown on Ag(1 1 0). Surface Science 371 (1997) 123-130
68. Shklover V., et al. Strong K-induced changes in perylene-tetracarboxylic-dianhydride films on Ag(1 1 0) studied by HREELS and LEED. Surface Science 482 (2001) 1241-1248
69. Tautz F.S., et al. Vibrational properties of ultrathin PTCDA films on Ag(1 1 0). Physical Review B 61 (2000) 16933-16947
70. Braun D., Schirmeisen A., and Fuchs H. Molecular growth and sub-molecular resolution of a thin multilayer of PTCDA on Ag(1 1 0) observed by scanning tunneling microscopy. Surface Science 575 (2005) 3-11
71. O. Bauer, S. Soubatch, M. Sokolowski, F.S. Tautz, In preparation.
72. Ma X., et al. Self-assembled magnetic nanostripes by organic patterning. Applied Physics Letters 84 (2004) 4038-4040
73. Fenter P., Burrows P.E., Eisenberger P., and Forrest S.R. Layer-by-layer quasi-epitaxial growth of a crystalline organic thin film. Journal of Crystal Growth 152 (1995) 65-72
74. Fenter P., Eisenberger P., Burrows P., Forrest S.R., and Liang K.S. Epitaxy at the organic-inorganic interface. Physica B 221 (1996) 145-151
75. Fenter P., Schreiber F., Zhou L., Eisenberger P., and Forrest S.R. In situ studies of morphology, strain, and growth modes of a molecular organic thin film. Physical Review B 56 (1997) 3046-3053
76. Schmitz-Hübsch T., Fritz T., Sellam F., Staub R., and Leo K. Epitaxial growth of 3,4,9,10-perylene-tetracarboxylic-dianhydride on Au(1 1 1): a STM and RHEED study. Physical Review B 55 (1997) 7972-7976
77. Fritz T., Hoffmann M., Schmitz-Hübsch T., and Leo K. Heteroepitaxially grown overlayers of PTCDA on Au(1 1 1) surfaces: structural and fluorescence properties. Molecular Crystals and Liquid Crystals (1998) 279-284
78. Kaiser R., et al. Ultra-thin PTCDA layers studied by optical spectroscopies. Fresenius' Journal of Analytical Chemistry 363 (1999) 189-192
79. Chizhov I., Kahn A., and Scoles G. Initial growth of 3,4,9,10-perylenetetracarboxylic-dianhydride (PTCDA) on Au(1 1 1): a scanning tunneling microscopy study. Journal of Crystal Growth 208 (2000) 449-458
80. Mannsfeld S., et al. Combined LEED and STM study of PTCDA growth on reconstructed Au(1 1 1) and Au(1 0 0) single crystals. Organic Electronics 2 (2001) 121-134
81. M. Eremtchenko, D. Bauer, J.A. Schaefer, F.S. Tautz, Investigating the bonding mechanisms of polycyclic aromatic molecules on metal surfaces by vibrational spectroscopy, in: Proceedings of the seventh International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science, Lund Univ. 2002, 2, 2002.
82. Tsiper E.V., Soos Z.G., Gao W., and Kahn A. Electronic polarization at surfaces and thin films of organic molecular crystals: PTCDA. Chemical Physics Letters 360 (2002) 47-52
83. Vazquez H., et al. Barrier formation at metal-organic interfaces: dipole formation and the charge neutrality level. Applied Surface Science 234 (2004) 107-112
84. Wagner T., et al. Growth of 3,4,9,10-perylenetetracarboxylic-dianhydride crystallites on noble metal surfaces. Organic Electronics 5 (2004) 35-43
85. Sokolowski M., Kilian L., and Umbach E. A refined structural analysis of the PTCDA monolayer on the reconstructed Au(1 1 1) surface - rigid or distorted carpet?. Surface Science 600 (2006) 2633-2643
86. Mendez J., Nicoara N., Roman E., Gomez-Rodriguez J.M., and Martin-Gago J.A. Scanning tunneling and photoemission spectroscopies at the PTCDA/Au(1 1 1) interface. Organic Electronics 7 (2006) 287-294
87. Proehl H., Nitsche R., Dienel T., Leo K., and Fritz T. In situ differential reflectance spectroscopy of thin crystalline films of PTCDA on different substrates. Physical Review B (Condensed Matter and Materials Physics) 71 (2005) 165207
88. Schmitz-Hübsch T., et al. Structure of 3,4,9,10-perylene-tetracarboxylic-dianhydride grown on reconstructed and unreconstructed Au(1 0 0). Surface Science 437 (1999) 163-172
89. Toerker M., Fritz T., Proehl H., Sellam F., and Leo K. Tunneling spectroscopy study of 3,4,9,10-perylene-tetracarboxylic-dianhydride on Au(1 0 0). Surface Science 491 (2001) 255-264
90. A. Bannani, C. Bobisch, T. Wagner, R. Möller, Organic crystallites of PTCDA on Cu(1 1 1) investigated by STM, in: Proceedings of the Seventh International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science, Lund Univ. 2002, 2, 2002.
91. C. Bobisch et al., STM study of thin films: 3,4,9,10-perylenetetracarboxylic-dianhydride (PTCDA) on Cu (1 1 1), Proceedings of the Seventh International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science, Lund Univ. 2002, 2, 2002.
92. Bobisch C., Wagner T., Bannani A., and Möller R. Ordered binary monolayer composed of two organic molecules: copper-phthalocyanine and 3,4,9,10-perylene-tetra-carboxylic- dianhydride on Cu(1 1 1). Journal of Chemical Physics 119 (2003) 9804-9808
93. Komolov S.A., Gerasimova N.B., Aliaev Y.G., and Sidorenko A.G. Role of chemical bond in the formation of the electronic structure of macromolecular films. Physics of Low-Dimensional Structures (2002) 253-259
94. Komolov S.A., Gerasimova N.B., Sidorenko A.G., and Aliaev Y.G. PTCDA and NTCDA layers formation on ZnO(0001) and Cu(1 1 1) surfaces investigated by total current spectroscopy. Physics of Low-Dimensional Structures (2001) 93-100
95. Gerlach A., Sellner S., Schreiber F., Koch N., and Zegenhagen J. Substrate-dependent bonding distances of PTCDA: a comparative X-ray standing-wave study on Cu(1 1 1) and Ag(1 1 1). Physical Review B 75 (2007) 045401
96. Wagner T., Bannani A., Bobisch C., Karacuban H., and Möller R. The initial growth of PTCDA on Cu(1 1 1) studied by STM. Journal of Physics: Condensed Matter 19 (2007) 056009 (12pp.)
97. Gabriel M., Stöhr M., and Möller R. Growth of 3,4,9,10-perylenetetracarboxylic-dianhydride (PTCDA) on Cu(1 1 0) studied by STM. Applied Physics A (Materials Science Processing) 74 (2002) 303-305
98. M. Gabriel et al., STM-investigation of nanocrystallites: PTCDA on Cu(1 1 0), in: Proceedings of the Seventh International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science, Lund Univ. 2002, 2, 2002.
99. Stöhr M., Gabriel M., and Möller R. Analysis of the three-dimensional structure of a small crystallite by scanning tunneling microscopy: multilayer films of 3,4,9,10-perylenetetracarboxylic-dianhydride (PTCDA) on Cu(1 1 0). Europhysics Letters 59 (2002) 423-429
100. Stöhr M., Gabriel M., and Möller R. Investigation of the growth of PTCDA on Cu(1 1 0): an STM study. Surface Science (2002) 330-334
101. Schmidt A., Schuerlein T.J., Collins G.E., and Armstrong N.R. Ordered ultrathin films of perylene-tetracarboxylic-dianhydride (PTCDA) and dimethylperylenebis(dicarboximide) (Me-PTCDI) on Cu(1 0 0) - Characterization of structure and surface stoichiometry by LEED, TDMS, and XPS. Journal of Physical Chemistry 99 (1995) 11770-11779
102. Schuerlein T.J., and Armstrong N.R. Formation and characterization of epitaxial phthalocyanine and perylene monolayers and bilayers on Cu(1 0 0): low-energy electron diffraction and thermal desorption mass spectrometry studies. Journal of Vacuum Science & Technology A (Vacuum, Surfaces, and Films) 12 (1994) 1992-1997
103. T.J. Schuerlein, A. Schmidt, P.A. Lee, K.W. Nebesny, N.R. Armstrong, Large molecule epitaxy on single crystal metals, insulators and single crystal and MBE-grown layered semiconductors, Japanese Journal of Applied Physics, Part 1 (Regular Papers & Short Notes) 34 (1995), 3837-3845.
104. Tiba M.V., et al. Ordering of organic molecules on passivated reactive substrates: PTCDA on O-p(2 × 2)-Ni(1 1 1). Surface Science 498 (2002) 161-167
105. Guillermet O., Glachant A., Hoarau J.Y., Mossoyan J.C., and Mossoyan M. Perylene-tetracarboxylic-diimide ultrathin film deposition on Pt(1 0 0): a LEED, AES, REELS and STM study. Surface Science 548 (2004) 129-137
106. Lukas S., Söhnchen S., Witte G., and Wöll C. Epitaxial growth of pentacene films on metal surfaces. ChemPhysChem 5 (2004) 266-270
107. Lukas S., Witte G., and Wöll C. Novel mechanism for molecular self-assembly on metal substrates: unidirectional rows of pentacene on Cu(1 1 0) produced by a substrate-mediated repulsion. Physical Review Letters 88 (2002) 028301
108. Söhnchen S., Lukas S., and Witte G. Epitaxial growth of pentacene films on Cu(1 1 0). Journal of Chemical Physics 121 (2004) 525-534
109. Taborski J., Wüstenhagen V., Väterlein P., and Umbach E. Precoverage-dependent molecular-orientation of big organic adsorbates - NDCA on Ni(1 1 1) and O/Ni(1 1 1). Chemical Physics Letters 239 (1995) 380-386
110. Mannsfeld S.C.B., and Fritz T. Analysis of the substrate influence on the ordering of epitaxial molecular layers: the special case of point-on-line coincidence. Physical Review B 69 (2004) 075416
111. Binnig G.K., Rohrer H., Gerber C., and Stoll E. Real-space observation of the reconstruction of Au(1 0 0). Surface Science 144 (1984) 321-335
112. Gao X.P., Hamelin A., and Weaver M.J. Elucidating complex surface reconstructions with atomic-resolution scanning tunneling microscopy: Au(1 0 0)-aqueous electrochemical interface. Physical Review B 46 (1992) 7096-7102
113. Gibbs D., Ocko B.M., Zehner D.M., and Mochrie S.G.J. Structure and phases of the Au(0 0 1) surface - in plane structure. Physical Review B 42 (1990) 7330-7344
114. Melle H., and Menzel E. Superstructures on spherical gold crystals. Zeitschrift fur Naturforschung A (Astrophysik, Physik und Physikalische Chemie) 33A (1978) 282-289
115. Ibach H., and Mills D.L. Electron Energy Loss Spectroscopy and Surface Vibrations (1982), Academic Press
116. Hoshino A., Isoda S., Kurata H., and Kobayashi T. Scanning tunneling microscope contrast of perylene-3,4,9,10-tetracarboxylic-dianhydride on graphite and its application to the study of epitaxy. Journal of Applied Physics 76 (1994) 4113-4120
117. Ludwig C., et al. Video-STM, LEED and X-ray-diffraction investigations of PTCDA on graphite. Zeitschrift für Physik B (Condensed Matter) 86 (1992) 397-404
118. 2. A systematic study of epitaxy and STM image contrast. Zeitschrift fur Physik B (Condensed Matter) 93 (1994) 365-673
119. 6 + 2CO) surface. Physical Review Letters 60 (1988) 2398-23401
120. Sautet P., and Joachim C. Calculation of the benzene on rhodium STM images. Chemical Physics Letters 185 (1991) 23-30
121. Weiss P.S., and Eigler D.M. Site dependence of the apparent shape of a molecule in scanning tunneling microscope images: benzene on Pt(1 1 1). Physical Review Letters 71 (1993) 3139-3142
122. Hill I.G., Milliron D., Schwartz J., and Kahn A. Organic semiconductor interfaces: electronic structure and transport properties. Applied Surface Science 166 (2000) 354-362
123. F.S. Tautz, To be published.
124. Hill I.G., Kahn A., Soos Z.G., and Pascal R.A. Charge-separation energy in films of π-conjugated organic molecules. Chemical Physics Letters 327 (2000) 181-188
125. Krause S., Casu M.B., and E U. A new approach to the determination of the transport gap in organic semiconductors using IPES and UPS. Verhandl. DPG (IV) 40 (2005) 531
126. Sachs S., et al. Determination of transport levels in organic semiconductors by UPOS, IPES, and 2PPE. Verhandl. DPG (IV) 42 (2007) 231
127. Krause B., Eich D., Casu M.B., and Umbach E. Determination of the transport gap by UPS and IPES. Verhandl. DPG (IV) 41 (2006) 491
128. Casu M.B., et al. New insight into the physics of organic materials by the absence of surface core level shifts. Verhandl. DPG (IV) 40 (2005) 494
129. Norskov J.K. Chemisorption on Metal-Surfaces. Reports on Progress in Physics 53 (1990) 1253-1295
130. Newns D.M. Self-consistent model of hydrogen chemisorption. Physical Review 178 (1969) 1123-1135
131. Schöll A., et al. Line shapes and satellites in high-resolution X-ray photoelectron spectra of large π-conjugated organic molecules. Journal of Chemical Physics 121 (2004) 10260-10267
132. Schöll A., Zou Y., Schmidt T., Fink R., and Umbach E. High-resolution photoemission study of different NTCDA monolayers on Ag(1 1 1): bonding and screening influences on the line shapes. Journal of Physical Chemistry B 108 (2004) 14741-14748
133. E. Umbach, A. Schöll, Private communication.
134. Eremtchenko M., Bauer D., Schaefer J.A., and Tautz F.S. Structure, bonding, and growth at a metal-organic interface in the weak chemisorption regime: perylene/Ag(1 1 1). Journal of Materials Research 19 (2004) 2028-2039
135. Ramsey M.G., et al. Compressed Benzene on Ni(1 1 0). Surface Science 251 (1991) 979-984
136. Netzer F.P. Determination of structure and orientation of organic-molecules on metal-surfaces. Vacuum 41 (1990) 49-53
137. Graen H.H., Neuber M., Neumann M., Odörfer G., and Freund H.J. Lateral interaction in ordered hydrocarbon overlayers: C-H band dispersion of adsorbed benzene. Europhysics Letters 12 (1990) 173-177
138. Yamane H., Yoshimura D., Kawabe E., Sumii R., Kanai K., Ouchi Y., Ueno N., and Seki K. Electronic structure at highly ordered organic/metal interfaces: Pentacene on Cu(1 1 0). Physical Review B 76 (2007) 165436
139. Van Hove M.A., Weinberg W.H., and Chan C.M. Low-energy electron diffraction. Experiment, Theory and Surface Structure Determination (1986), Springer
140. Kumpf C., Scheuermann M., Stadler C., Umbach E., and Moritz W. LEED-IV analysis for the structural investigation of the NTCDA monolayer on Ag(1 1 1). Verhandl. DPG (VI) 40 (2005) 494
141. Lagoute J., Kanisawa K., and Fölsch S. Manipulation and adsorption-site mapping of single pentacene molecules on Cu(1 1 1). Physical Review B 70 (2004) 245415
142. Meyer G., Zöphel S., and Rieder K.H. Scanning tunneling microscopy manipulation of native substrate atoms: a new way to obtain registry information on foreign adsorbates. Physical Review Letters 77 (1996) 2113-2116
143. Hofer W.A. Challenges and errors: interpreting high resolution images in scanning tunneling microscopy. Progress in Surface Science 71 (2003) 147-183
144. Klein C., et al. When scanning tunneling microscopy gets the wrong adsorption site: H on Rh(1 0 0). Physical Review Letters 90 (2003) 176101
145. Westphal C. The study of the local atomic structure by means of X-ray photoelectron diffraction. Surface Science Reports 50 (2003) 1-106
146. Woodruff D.P. Normal incidence X-ray standing wave determination of adsorbate structures. Progress in Surface Science 57 (1998) 1-60
147. Woodruff D.P. Surface structure determination using X-ray standing waves. Reports on Progress in Physics 68 (2005) 743-798
148. L. Kilian et al., Adsorption site determination of a large π-conjugated molecule by NIXSW: end-capped-quater-thiophene on Ag(1 1 1), in: Proceedings of the Seventh International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science, Lund Univ. 2002, 2, 2002.
149. Blyholder G. Molecular orbital view of chemisorbed carbon monoxide. Journal of Physical Chemistry 68 (1964) 2772
150. Dori N., et al. Valence electronic structure of gas-phase 3,4,9,10-perylene-tetracarboxylic acid dianhydride: experiment and theory. Physical Review B 73 (2006) 195208
151. Neaton J.B., Hybertsen M.S., and Louie S.G. Renormalization of molecular electronic levels at metal-molecule interfaces. Physical Review Letters 97 (2006) 216405
152. Dobson J.F., and Wang J. Successful test of a seamless van der Waals density functional. Physical Review Letters 82 (1999) 2123-2126
153. Dion M., Rydberg H., Schroder E., Langreth D.C., and Lundqvist B.I. Van der Waals density functional for general geometries. Physical Review Letters 92 (2004) 246401
154. Chakarova-Käck S.D., Schröder E., Lundqvist B.I., and Langreth D.C. Application of van der Waals density functional to an extended system: adsorption of benzene and naphthalene on graphite. Physical Review Letters 96 (2006) 146107
155. Bagus P.S., Staemmler V., and Wöll C. Exchangelike effects for closed-shell adsorbates: interface dipole and work function. Physical Review Letters 89 (2002) 096104
156. Kröger J., et al. Dynamics of surface-localised electronic excitations studied with the scanning tunnelling microscope. Progress in Surface Science 82 (2007) 293-312
157. Chulkov E.V., et al. Electronic excitations in metals and at metal surfaces. Chemical Reviews 106 (2006) 4160-4206
158. Kröger J. Electron-phonon coupling at metal surfaces. Reports on Progress in Physics 69 (2006) 899-969
159. Tully J.C. Chemical dynamics at metal surfaces. Annual Review of Physical Chemistry 51 (2000) 153-178
160. Gadzuk J.W., and Luntz A.C. On vibrational lineshapes of adsorbed molecules. Surface Science 144 (1984) 429-450
161. Hirschmugl C.J. Frontiers in infrared spectroscopy at surfaces and interfaces. Surface Science 500 (2002) 577-604
162. Langreth D.C., and Persson M. In: Dai H.L., and Ho W. (Eds). Vibrational relaxation and dephasing of molecules adsorbed on metal surfaces (1995), World Scientific
163. Ryberg R. Infrared spectroscopy of adsorbed molecules: some experimental aspects. Journal de Physique Colloque 44 (1983) 421-427
164. Head-Gordon M., and Tully J.C. Molecular dynamics with electronic frictions. Journal of Chemical Physics 103 (1995) 10137-10145
165. Kindt J.T., Tully J.C., Head-Gordon M., and Gomez M.A. Electron-hole pair contributions to scattering, sticking, and surface diffusion: CO on Cu(1 0 0). Journal of Chemical Physics 109 (1998) 3629-3636
166. Tully J.C., Gomez M., and Head-Gordon M. Electronic and phonon mechanisms of vibrational relaxation: CO on Cu(1 0 0). Journal of Vacuum Science & Technology A (Vacuum, Surfaces, and Films) 11 (1993) 1914-1920
167. Chance R.R., Prock A., and Silbey R. Comments on the classical theory of energy transfer between molecules and surfaces. Journal of Chemical Physics 62 (1975) 2245-2253
168. Persson B.N.J. Theory of the damping of excited molecules located above a metal surface. Journal of Physics C (Solid State Physics) 11 (1978) 4251-4269
169. Persson B.N.J., and Persson M. Vibrational lifetime for CO adsorbed on Cu (1 0 0). Solid State Communications 36 (1980) 175-179
170. 2 chemisorbed on Pt(1 1 1). Chemical Physics Letters 139 (1987) 457-462
171. Persson B.N.J., and Ryberg R. Vibrational damping of adsorbed molecules: methoxide on Cu(1 0 0). Physical Review Letters 48 (1982) 549-552
172. Hirschmugl C.J., Chabal Y.J., Hoffmann F.M., and Williams G.P. Low-frequency dynamics of CO/Cu breakdown of Born-Oppenheimer approximation. Journal of Vacuum Science & Technology A (Vacuum, Surfaces, and Films) 12 (1994) 2229-2234
173. Hirschmugl C.J., Williams G.P., Hoffmann F.M., and Chabal Y.J. Adsorbate-substrate resonant interactions observed for CO on Cu(1 0 0) and (1 1 1) in the far-IR using synchrotron radiation. Journal of Electron Spectroscopy and Related Phenomena 54-55 (1990) 109-114
174. Hirschmugl C.J., Williams G.P., Hoffmann F.M., and Chabal Y.J. Adsorbate-substrate resonant interactions observed for CO on Cu(1 0 0) in the far infrared. Physical Review Letters 65 (1990) 480-483
175. Hirschmugl C.J., Williams G.P., Persson B.N.J., and Volokitin A.I. Adsorbate vibrational dynamics in the anomalous skin effect frequency region. Surface Science 317 (1994) L1141-L1146
176. 60/Ag(1 1 1). Physical Review Letters 78 (1997) 2999-3002
177. Silien C., et al. HREELS, IR and SFG investigation of undoped and doped adsorbed fullerenes. Surface Science (1999) 79-84
178. 60 upon adsorption and K intercalation. Applied Surface Science (2000) 445-451
179. Rudolf P., Raval R., Dumas P., and Williams G.P. Vibrational dynamics of fullerene molecules adsorbed on metal surfaces studied with synchrotron infrared radiation. Applied Physics A (Materials Science Processing) 75 (2002) 147-153
180. Fano U. Effects of configuration interaction on intensities and phase shifts. Physical Review 124 (1961) 1866-1878
181. Crljen Z., and Langreth D.C. Asymmetric line shapes and the electron-hole pair mechanism for adsorbed molecules on surfaces. Physical Review B 35 (1987) 4224-4231
182. Langreth D.C. Energy transfer at surfaces: asymmetric line shapes and the electron-hole-pair mechanism. Physical Review Letters 54 (1985) 126-129
183. Rice M.J. Toward the experimental-determination of the fundamental microscopic parameters of organic ion-radical compounds. Solid State Communications 31 (1979) 93-97
184. Rice M.J., Lipari N.O., and Strässler S. Dimerized organic linear-chain conductors and the unambiguous experimental determination of electron-molecular-vibration coupling constants. Physical Review Letters 39 (1977) 1359-1362
185. Rice M.J., Yartsev V.M., and Jacobsen C.S. Investigation of the nature of the unpaired electron states in the organic semiconductor N-methyl-N-ethylmorpholinium-tetracyanoquinodimethane. Physical Review B 21 (1980) 3437-3446
186. Devos A., and Lannoo M. Electron-phonon coupling for aromatic molecular crystals: possible consequences for their superconductivity. Physical Review B 58 (1998) 8236-8239
187. Fuentes G.G., and Knupfer M. Electronic structure and work function of potassium-doped PTCDA thin films. Applied Physics A (Materials Science Processing) A84 (2006) 329-333
188. Stipe B.C., Rezaei M.A., and Ho W. Single-molecule vibrational spectroscopy and microscopy. Science 280 (1998) 1732-1735
189. Lorente N., and Persson M. Theory of single molecule vibrational spectroscopy and microscopy. Physical Review Letters 85 (2000) 2997-3000
190. Pascual J.I., and Lorente N. In: Grütter P., Hofer W., and Rosei F. (Eds). Single-molecule Vibrational Spectroscopy and Chemistry (2006), World Scientific
191. Pascual J.I., and Lorente N. In: Samori P. (Ed). Inelastic Electron Tunneling Microscopy and Spectroscopy of Single Molecules by STM (2006), Wiley-VCH, Weinheim
192. Lorente N. Mode excitation induced by the scanning tunnelling microscope. Applied Physics A-Materials Science & Processing 78 (2004) 799-806
193. Persson B.N.J., and Baratoff A. Inelastic electron tunneling from a metal tip: the contribution from resonant processes. Physical Review Letters 59 (1987) 339-342
194. Persson M. Theory of elastic and inelastic tunnelling microscopy and spectroscopy: CO on Cu revisited. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 362 (2004) 1173-1183
195. Bocquet M.L., Lesnard H., and Lorente N. Inelastic spectroscopy identification of STM-induced benzene dehydrogenation. Physical Review Letters 96 (2006) 096101-096104
196. Frisch M.J., et al. Gaussian 03 (2004), Gaussian, Inc., USA
197. Vazquez H., et al. Dipole formation at metal/PTCDA interfaces: role of the charge neutrality level. Europhysics Letters 65 (2004) 802-808
198. Louie S.G., Chelikowsky J.R., and Cohen M.L. Ionicity and the theory of Schottky barriers. Physical Review B 15 (1977) 2154-2162
199. Mönch W. Semiconductor Surfaces and Interfaces (1995), Springer, Berlin
200. Tersoff J. Schottky barriers and semiconductor band structures. Physical Review B 32 (1985) 6968-6971
201. 3-terminated alkanethiol monolayers on Au(1 1 1): a scanning tunneling microscopy, surface X-ray and helium scattering study. Surface Science 498 (2002) 89-104
202. Repp J., Meyer G., Stojkovic S.M., Gourdon A., and Joachim C. Molecules on insulating films: scanning-tunneling microscopy imaging of individual molecular orbitals. Physical Review Letters 94 (2005) 026803
203. Hill I.G., Rajagopal A., Kahn A., and Hu Y. Molecular level alignment at organic semiconductor-metal interfaces. Applied Physics Letters 73 (1998) 662-664
204. Chiarotti G. Physics of solid surfaces - electronic and vibrational properties. In: Madelung O., and Martienssen W. (Eds). Landolt Börnstein, Numerical Data and Functional Relationships in Science and Technology (1994), Springer, Berlin