Electronic polarization at surfaces and thin films of organic
molecular crystals: PTCDA
E.V. Tsiper, Z.G. Soos, W. Gao, and A. Kahn
Department of Chemistry, Princeton University, Princeton, NJ 08544
Department of Electrical Engineering, Princeton University, Princeton, NJ 08544
The electronic polarization energies, P=P++P-,
of a PTCDA (perylenetetracarboxylic acid dianhydride) cation and anion
in a crystalline thin film on a metallic substrate are computed and
compared with measurements of the PTCDA transport gap on gold and
silver. Both experiments and theory show that P is 500 meV larger in
a PTCDA monolayer than in 50 A films. Electronic polarization in
systems with surfaces and interfaces are obtained self-consistently in
terms of charge redistribution within molecules.
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Modeling of efficient charge transfer materials of 4, 6-di (thiophen-2-yl) pyrimidine derivatives: Quantum chemical investigations.
Computational materials science, 81, pp.488-492, 2014.
Irfan, A., Al-Sehemi, A.G. and Al-Assiri, M.S.,
The effect of donors–acceptors on the charge transfer properties and tuning of emitting color for thiophene, pyrimidine and oligoacene based compounds.
Journal of Fluorine Chemistry, 157, pp.52-57, 2014.
Ozawa, Y., Nakayama, Y., Machida, S.I., Kinjo, H. and Ishii, H.,
Maximum probing depth of low-energy photoelectrons in an amorphous organic semiconductor film.
Journal of Electron Spectroscopy and Related Phenomena, 197, pp.17-21, 2014.
El-Nahass, M.M., Abu-Samaha, F.S.H., Menshawy, S. and Elesh, E.,
Effect of annealing on structural and optical properties of copper tetraphenylporphyrin (CuTPP) thin films.
Optics & Laser Technology, 64, pp.28-33, 2014.
Endlich, M., Gozdzik, S., Néel, N., da Rosa, A.L., Frauenheim, T., Wehling, T.O. and Kröger, J.,
Phthalocyanine adsorption to graphene on Ir (111): Evidence for decoupling from vibrational spectroscopy.
The Journal of Chemical Physics, 141(18), p.184308, 2014.
Santoni, F., Gagliardi, A., der Maur, M.A. and Di Carlo, A.,
The relevance of correct injection model to simulate electrical properties of organic semiconductors.
Organic Electronics, 15(7), pp.1557-1570, 2014.
El-Nahass, M.M., Hassanien, A.M., Abu-Samaha, F.S.H. and Elesh, E.,
Effect of illumination on the structural and optical properties of Cu (II) tetraphenyl porphyrin (CuTPP) thin films.
Optics Communications, 325, pp.116-121, 2014.
Droghetti, A., Cinchetti, M. and Sanvito, S.,
Electronic structure of metal quinoline molecules from G 0 W 0 calculations.
Physical Review B, 89(24), p.245137, 2014.
Selvakumar, S., Murugaraj, R., Viswanathan, E., Sankar, S. and Sivaji, K.,
Dielectric properties and relaxation mechanism of organic trans-stilbene and p-terphenyl molecular crystals using impedance spectroscopy.
Journal of Molecular Structure, 1056, pp.152-156, 2014.
Niederhausen, J., Duhm, S., Heimel, G., Bürker, C., Xin, Q., Wilke, A., Vollmer, A., Schreiber, F., Kera, S., Rabe, J.P. and Ueno, N.,
Seleno groups control the energy-level alignment between conjugated organic molecules and metals.
The Journal of Chemical Physics, 140(1), p.014705, 2014.
Soliman, H.S., El-Zaidia, E.F.M., Ali, H.A.M. and Atef, S.M.,
Effect of annealing on optical properties of 2-chloro-5-(2, 5-dimethoxy-benzylidene)-1, 3-diethyl-dihydro-pyrimidine-4, 6 (1H, 5H)-dione thin films.
Materials science in semiconductor processing, 26, pp.726-730, 2014.
Haidu, F., Salvan, G., Zahn, D.R.T., Smykalla, L., Hietschold, M. and Knupfer, M.,
Transport band gap opening at metal–organic interfaces.
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, 32(4), p.040602, 2014.
Tietze, M.L.,
Molecular doping processes in organic semiconductors investigated by photoelectron spectroscopy.
Doctoral dissertation, TU Dresden, 2014.
Vaufrey, D.,
OLED Characterization.
OLED Microdisplays: Technology and Applications, pp.53-94, 2014.
Tal, T.,
Electrical Effect of Molecular Monolayer on Charge Transport Through Metal–Organic Monolayer–Semiconductor Junctions.
Doctoral dissertation, The Weizmann Institute of Science, Israel, 2014.
Biller, A.J.,
Electronic Structure at Organic/Semiconductor Interfaces: A Many-Body Perturbation Theory approach.
Doctoral dissertation, The Weizmann Institute of Science, Israel, 2014.
Heimel, G., Duhm, S., Salzmann, I., Gerlach, A., Strozecka, A., Niederhausen, J., Bürker, C., Hosokai, T., Fernandez-Torrente, I., Schulze, G. and Winkler, S.,
Charged and metallic molecular monolayers through surface-induced aromatic stabilization.
Nature chemistry, 5(3), pp.187-194, 2013.
Scholz, R., Luschtinetz, R., Seifert, G., Jägeler-Hoheisel, T., Körner, C., Leo, K. and Rapacioli, M.,
Quantifying charge transfer energies at donor–acceptor interfaces in small-molecule solar cells with constrained DFTB and spectroscopic methods.
Journal of physics: Condensed matter, 25(47), p.473201, 2013.
Yu, M., Doak, P., Tamblyn, I. and Neaton, J.B.,
Theory of covalent adsorbate frontier orbital energies on functionalized light-absorbing semiconductor surfaces.
The journal of physical chemistry letters, 4(10), pp.1701-1706, 2013.
Irfan, A., Al-Sehemi, A.G. and Al-Assiri, M.S.,
Modeling of multifunctional donor-bridge-acceptor 4, 6-di (thiophen-2-yl) pyrimidine derivatives: A first principles study.
Journal of Molecular Graphics and Modelling, 44, pp.168-176, 2013.
Chaudhry, A.R., Ahmed, R., Irfan, A., Shaari, A. and Al-Sehemi, A.G.,
Quantum chemical approach toward the electronic, photophysical and charge transfer properties of the materials used in organic field-effect transistors.
Materials Chemistry and Physics, 138(2-3), pp.468-478, 2013.
Dechun, Z.,
Chemical and photophysical properties of materials for OLEDs.
In Organic Light-Emitting Diodes (OLEDs) (pp. 114-142). Woodhead Publishing, 2013.
Haidu, F., Fechner, A., Salvan, G., Gordan, O.D., Fronk, M., Lehmann, D., Mahns, B., Knupfer, M. and Zahn, D.R.T.,
Influence of film thickness and air exposure on the transport gap of manganese phthalocyanine.
AIP Advances, 3(6), p.062124, 2013.
Risko, C. and Brédas, J.L.,
Small optical gap molecules and polymers: using theory to design more efficient materials for organic photovoltaics.
Multiscale Modelling of Organic and Hybrid Photovoltaics, pp.1-38, 2013.
Youssef, T.E., El-Nahass, M.M. and El-Zaidia, E.F.M.,
Comparable optical properties and dispersion parameters of monomeric axial ruthenium phthalocyanine thin films.
Journal of luminescence, 138, pp.187-194, 2013.
Zebari, A.A.A., Kolmer, M. and Prauzner-Bechcicki, J.S.,
STM tip-assisted engineering of molecular nanostructures: PTCDA islands on Ge (001): H surfaces.
Beilstein Journal of Nanotechnology, 4(1), pp.927-932, 2013.
Yahia, I.S., Rammah, Y.S., AlFaify, S. and Yakuphanoglu, F.,
Optical characterization of nano-pentacene thin films.
Superlattices and Microstructures, 64, pp.58-69, 2013.
Ueno, N., Kera, S. and Kanai, K.,
Fundamental electronic structure of organic solids and their interfaces by photoemission spectroscopy and related methods.
The Molecule–Metal Interface, pp.173-217, 2013.
Petrova, P., Ivanov, P., Marcheva, Y. and Tomova, R.,
Estimation of energy levels of new Iridium cyclometalated complexes via cyclic voltammetry.
Bulgarian Chemical Communications, 45, B, pp.159-164, 2013.
Liu, H., Wu, Y., Wang, Z. and Fu, H.,
High performance Langmuir–Schaeffer film transistors based on air stable n-type diperylene bisimide.
Organic Electronics, 14(10), pp.2610-2616, 2013.
Koitaya, T., Mukai, K., Yoshimoto, S. and Yoshinobu, J.,
Energy level alignment of cyclohexane on Rh (111) surfaces: The importance of interfacial dipole and final-state screening.
The Journal of Chemical Physics, 138(4), p.044702, 2013.
Transport and optical gaps and energy band alignment at organic-inorganic interfaces.
Journal of Applied Physics, 114(12), p.123701, 2013.
Flores, F. and Ortega, J.,
Basic theory of the Molecule-Metal interface.
The Molecule-Metal Interface, 2013.
Kahn, A. and Koch, N.,
Energy Levels at Molecule–Metal Interfaces.
The Molecule–Metal Interface, 1, p.6, 2013.
Thomas, M.,
Nanostructured Inverted Organic Photovoltaic Cells.
Thesis, University of Alberta, Canada, 2013.
Sharifzadeh, S., Biller, A., Kronik, L. and Neaton, J.B.,
Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles.
Physical Review B, 85(12), p.125307, 2012.
Dongol, M., El-Nahass, M.M., El-Denglawey, A., Elhady, A.F. and Abuelwafa, A.A.,
Optical properties of nano 5, 10, 15, 20-tetraphenyl-21H, 23H-prophyrin nickel (II) thin films.
Current Applied Physics, 12(4), pp.1178-1184, 2012.
El-Nahass, M.M., Abd El-Khalek, H.M. and Nawar, A.M.,
Structural and optical characterizations of Ni (II) tetraphenyl porphyrin thin films.
The European Physical Journal-Applied Physics, 57(3), 2012.
El-Nahass, M.M., Abd El-Khalek, H.M. and Nawar, A.M.,
Topological, morphological and optical properties of Gamma irradiated Ni (II) tetraphenyl porphyrin thin films.
Optics Communications, 285(7), pp.1872-1881, 2012.
Kanai, K., Honda, M., Ishii, H., Ouchi, Y. and Seki, K.,
Interface electronic structure between organic semiconductor film and electrode metal probed by photoelectron yield spectroscopy.
Organic Electronics, 13(2), pp.309-319, 2012.
Zhou, M., Png, R.Q., Khong, S.H., Sivaramakrishnan, S., Zhao, L.H., Chua, L.L., Friend, R.H. and Ho, P.K.,
Effective work functions for the evaporated metal/organic semiconductor contacts from in-situ diode flatband potential measurements.
Applied Physics Letters, 101(1), p.013501, 2012.
Polarization effects on energy-level alignment at the interfaces of polymer organic semiconductor films.
Applied Physics Letters, 101(5), p.053304, 2012.
Yoshida, H. and Sato, N.,
A precise analysis of the core-level energy difference between the surface and bulk region of organic semiconductor thin films.
The Journal of Physical Chemistry C, 116(18), pp.10033-10038, 2012.
Chen, R., Zhang, G., Gao, Y., Xiao, L. and Jia, S.,
Single molecules probe the polarization dynamics of poly (methyl methacrylate) in external electric field.
Applied Physics Letters, 100(20), p.203118, 2012.
Eilmes, A.,
A theoretical study of small tetracene clusters: Stability and charge stabilization energies.
Computational and Theoretical Chemistry, 982, pp.25-29, 2012.
Greiner, M.,
Transition Metal Oxides in Organic Electronics
Doctoral dissertation, University of Toronto, 2012.
Coh, S.,
Electronic structure and binding geometry of tetraphenylporphyrin-derived molecules adsorbed on metal and metal oxide surfaces.
Doctoral dissertation, Rutgers University, 2012.
Yoshida, H., Ito, E., Hara, M. and Sato, N.,
Electronic Structure of the Buried Interface Between an Organic Semiconductor, N, N′-Bis (3-methylphenyl)-N, N′-Diphenylbenzidine (TPD), and Metal Surfaces.
Journal of Nanoscience and Nanotechnology, 12(1), pp.494-498, 2012.
Marks, M.,
Über die Dynamik von Elektronen auf Silber-Einkristalloberflächen, an metall-organischen Grenzschichten und in PTCDA-Monolagen.
Doctoral dissertation, Marburg University, 2012.
Juteräng, D.,
STM Study of PTCDA on Pb/Si (111) 1× 1.
Karlstadts University PDF, 2012.
Risko, C., McGehee, M.D. and Brédas, J.L.,
A quantum-chemical perspective into low optical-gap polymers for highly-efficient organic solar cells.
Chemical Science, 2(7), pp.1200-1218, 2011.
Heimel, G., Salzmann, I., Duhm, S. and Koch, N.,
Design of organic semiconductors from molecular electrostatics.
Chemistry of Materials, 23(3), pp.359-377, 2011.
Schwenn, P.E., Burn, P.L. and Powell, B.J.,
Calculation of solid state molecular ionisation energies and electron affinities for organic semiconductors.
Organic Electronics, 12(2), pp.394-403, 2011.
Gopakumar, T.G., Brumme, T., Kroger, J., Toher, C., Cuniberti, G. and Berndt, R.,
Coverage-driven electronic decoupling of Fe-phthalocyanine from a Ag (111) substrate.
The Journal of Physical Chemistry C, 115(24), pp.12173-12179, 2011.
Effect of heat treatment on morphological, structural and optical properties of CoMTPP thin films.
Solid state sciences, 13(3), pp.596-600, 2011.
El-Nahass, M.M., El-Deeb, A.F., Metwally, H.S. and Hassanien, A.M.,
Influence of annealing on the optical properties of 5, 10, 15, 20-tetraphenyl-21H, 23H-porphine iron (III) chloride thin films.
Materials Chemistry and Physics, 125(1-2), pp.247-251, 2011.
Pshenichnyuk, S.A., Kukhto, A.V., Kukhto, I.N. and Komolov, A.S.,
Spectroscopic states of PTCDA negative ions and their relation to the maxima of unoccupied state density in the conduction band.
Technical Physics, 56(6), pp.754-759, 2011.
Irfan, A., Al-Sehemi, A.G., Asiri, A.M., Nadeem, M. and Alamry, K.A.,
A study on the electronic and charge transfer properties in tin phthalocyanine (SnPc) derivatives by density functional theory.
Computational and Theoretical Chemistry, 977(1-3), pp.9-12, 2011.
Martínez, J.I., Abad, E., Flores, F., Ortega, J. and Brocks, G.,
Barrier height formation for the PTCDA/Au (1 1 1) interface.
Chemical physics, 390(1), pp.14-19, 2011.
Yoshida, H. and Sato, N.,
The depth profile of core energy levels: Electronic structure of buried organic/metal interfaces examined by X-ray photoemission and target factor analysis.
Chemical Physics Letters, 511(1-3), pp.146-150, 2011.
Domenech, A., Koshevoy, I.O., Montoya, N., Karttunen, A.J. and Pakkanen, T.A.,
Determination of individual Gibbs energies of anion transfer and excess Gibbs energies using an electrochemical method based on insertion electrochemistry of solid compounds.
Journal of Chemical & Engineering Data, 56(12), pp.4577-4586, 2011.
Hipps, K.W.,
Tunneling spectroscopy of organic monolayers and single molecules.
Unimolecular and Supramolecular Electronics II, pp.189-215, 2011.
Пшеничнюк, С.А., Кухто, А.В., Кухто, И.Н. and Комолов, А.С.,
Спектроскопические состояния отрицательных ионов PTCDA и их связь с максимумами плотности вакантных состояний зоны проводимости.
Журнал технической физики, 81(6), pp.8-13, 2011.
Rojas, G.A.,
Self assembly and interface chemistry of non-metallated tetraphenyl porphyrin.
Doctoral dissertation, University of Nebraska-Lincoln, 2011.
Wang, Z., Pronschinske, A. and Dougherty, D.B.,
Scanning tunneling microscopy of a disordered Alq3–metal interface.
Organic Electronics, 12(11), pp.1920-1926, 2011.
Energy level alignment and electron transport through metal/organic contacts: from interfaces to molecular electronics.
Doctoral Thesis, Universidad Autónoma de Madrid, 2011.
Vignau, L.,
Vers des composants électroniques organiques de grande surface et flexibles.
Doctoral dissertation, Université Bordeaux, 2011.
Mankel, E.,
Elektronische Eigenschaften von Heterosystemen organischer und anorganischer Halbleiter: Präparation, Modifikation und Charakterisierung von Grenzflächen und Kompositen.
Doctoral dissertation, TU Darmstadt, 2011.
Bedwani, S.,
Apport de la microscopie à effet tunnel à la caractérisation d'interfaces molécule-métal à fort transfert de charge.
Doctoral dissertation, École Polytechnique de Montréal, 2011.
Petraki, F., Peisert, H., Biswas, I. and Chassé, T.,
Electronic structure of Co-phthalocyanine on gold investigated by photoexcited electron spectroscopies: indication of Co ion− metal interaction.
The Journal of Physical Chemistry C, 114(41), pp.17638-17643, 2010.
Rusu, P.C., Giovannetti, G., Weijtens, C., Coehoorn, R. and Brocks, G.,
First-principles study of the dipole layer formation at metal-organic interfaces.
Physical Review B, 81(12), p.125403, 2010.
Influence of X-ray irradiation on the optical properties of iron (III) chloride tetraphenylporphyrin thin films.
Solid State Sciences, 12(4), pp.552-557, 2010.
El-Nahass, M.M., El-Deeb, A.F., Metwally, H.S. and Hassanien, A.M.,
Structural and optical properties of iron (III) chloride tetraphenylporphyrin thin films.
The European Physical Journal-Applied Physics, 52(1), 2010.
Irfan, A., Zhang, J. and Chang, Y.,
Theoretical investigations of the charge transfer properties of anthracene derivatives.
Theoretical Chemistry Accounts, 127(5), pp.587-594, 2010.
Schwalb, C.H., Marks, M., Sachs, S., Schöll, A., Reinert, F., Umbach, E. and Höfer, U.,
Time-resolved measurements of electron transfer processes at the PTCDA/Ag (111) interface.
The European Physical Journal B, 75(1), pp.23-30, 2010.
Abad, E., González, C., Ortega, J. and Flores, F.,
Charging energy, self-interaction correction and transport energy gap for a nanogap organic molecular junction.
Organic Electronics, 11(2), pp.332-337, 2010.
Zhang, H.M., Gustafsson, J.B. and Johansson, L.S.O.,
STM study of the electronic structure of PTCDA on Ag/Si (1 1 1)-3× 3.
Chemical Physics Letters, 485(1-3), pp.69-76, 2010.
Manandhar, K. and Parkinson, B.A.,
Photoemission and STM study of the morphology and barrier heights at the interface between perylene and noble metal (111) surfaces.
The Journal of Physical Chemistry C, 114(36), pp.15394-15402, 2010.
Dou, W., Tang, Y., Lee, C.S., Bao, S.N. and Lee, S.T.,
Investigation on the orderly growth of thick zinc phthalocyanine films on Ag (100) surface.
The Journal of chemical physics, 133(14), p.144704, 2010.
El-Nahass, M.M. and Youssef, T.E.,
Influence of X-ray irradiation on the optical properties of ruthenium (II) octa-(n-hexyl)-phthalocyanine thin film.
Journal of alloys and compounds, 503(1), pp.86-91, 2010.
Manandhar, K., Sambur, J.B. and Parkinson, B.A.,
Morphologies, structures, and interfacial electronic structure of perylene on Au (111).
Journal of Applied Physics, 107(6), p.063716, 2010.
Dienel, T., Krause, A., Alle, R., Forker, R., Meerholz, K. and Fritz, T.,
Alkali metal doped organic molecules on insulators: charge impact on the optical properties.
Advanced Materials, 22(36), pp.4064-4070, 2010.
Wang, Q.H. and Hersam, M.C., Northwestern University,
Self-assembled organic monolayers on graphene and methods of making and using.
U.S. Patent Application 12/753,942, 2010.
Abad, E., Martínez, J.I., Ortega, J. and Flores, F.,
Barrier formation and charging energy for a variable nanogap organic molecular junction: a tip/C60/Au (111) configuration.
Journal of Physics: Condensed Matter, 22(30), p.304007, 2010.
Topham, B.J., Kumar, M. and Soos, Z.G.,
Ionization potentials of crystalline organic thin films: Position dependence due to molecular shape and charge redistribution.
Chemical Physics Letters, 493(4-6), pp.251-254, 2010.
Mitrasinovic, P.M.,
Electronic processes at organic/metal interfaces: recent progress and pitfalls.
Current Organic Chemistry, 14(2), pp.198-211, 2010.
Bai, Y.,
Photoelectron Spectroscopic Investigations of Porphyrins and Phthalocyanines on Ag (111) and Au (111): Adsorption and Reactivity.
Doctoral Thesis, Friedrich-Alexander-Universitaet Erlangen-Nuernberg, Germany, 2010.
Forker, R.,
Electronic coupling effects and charge transfer between organic molecules and metal surfaces.
Doctoral dissertation, TU Dresden, 2010.
Gisslén, L.M.,
Influence of Frenkel excitons and charge transfer states on the spectroscopic properties of organic molecular crystals
Doctoral dissertation, Technische Universität München, 2010.
Nakayama, Y., Huang, Y.H., Wei, C.H., Kubo, T., Machida, S.I., Pi, T.W., Tang, S.J., Noguchi, Y. and Ishii, H.,
Interface electronic structures of 2-amino-4, 5-imidazoledicarbonitrile on Ag and Al surfaces.
Journal of Applied Physics, 108(5), p.053702, 2010.
Petek, H., Feng, M. and Zhao, J.,
Electronic Structure of Metal− Molecule Interfaces.
Current-Driven Phenomena in Nanoelectronics, pp.1-25, 2010.
Wagner, C.,
Potential energy minimization as the driving force for order and disorder in organic layers.
Doctoral dissertation, TU Dresden, 2010.
Karacuban, H.,
Interface properties of organic molecules on metal surfaces; Grenzflaecheneigenschaften organischer Molekuele auf Metalloberflaechen.
Doctoral dissertation, Duisburg-Essen University, 2010.
Energetics of metal–organic interfaces: New experiments and assessment of the field.
Materials Science and Engineering: R: Reports, 64(1-2), pp.1-31, 2009.
Wang, Q.H. and Hersam, M.C.,
Room-temperature molecular-resolution characterization of self-assembled organic monolayers on epitaxial graphene.
Nature Chemistry, 1(3), pp.206-211, 2009.
Romaner, L., Nabok, D., Puschnig, P., Zojer, E. and Ambrosch-Draxl, C.,
Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag (111), Au (111) and Cu (111).
New Journal of Physics, 11(5), p.053010, 2009.
Huang, H., Chen, S., Gao, X., Chen, W. and Wee, A.T.S.,
Structural and electronic properties of PTCDA thin films on epitaxial graphene.
ACS nano, 3(11), pp.3431-3436, 2009.
Flores, F., Ortega, J. and Vázquez, H.,
Modelling energy level alignment at organic interfaces and density functional theory.
Physical Chemistry Chemical Physics, 11(39), pp.8658-8675, 2009.
Gisslén, L. and Scholz, R.,
Crystallochromy of perylene pigments: Interference between Frenkel excitons and charge-transfer states.
Physical Review B, 80(11), p.115309, 2009.
Nan, G., Wang, L., Yang, X., Shuai, Z. and Zhao, Y.,
Charge transfer rates in organic semiconductors beyond first-order perturbation: From weak to strong coupling regimes.
The Journal of chemical physics, 130(2), p.024704, 2009.
Peisert, H., Biswas, I., Knupfer, M. and Chassé, T.,
Orientation and electronic properties of phthalocyanines on polycrystalline substrates.
physica status solidi (b), 246(7), pp.1529-1545, 2009.
Avilov, I., Geskin, V. and Cornil, J.,
Quantum‐Chemical Characterization of the Origin of Dipole Formation at Molecular Organic/Organic Interfaces.
Advanced Functional Materials, 19(4), pp.624-633, 2009.
Peisert, H., Kolacyak, D. and Chassé, T.,
Site-specific charge-transfer screening at organic/metal interfaces.
The Journal of Physical Chemistry C, 113(44), pp.19244-19250, 2009.
Seo, J.H., Jin, Y., Brzezinski, J.Z., Walker, B. and Nguyen, T.Q.,
Theoretical investigations of the charge transfer characteristics in dichlorotitanium phthalocyanine (TiCl2Pc) and tin phthalocyanine (SnPc).
Chemical Physics Letters, 483(1-3), pp.143-146, 2009.
Kolacyak, D., Peisert, H. and Chassé, T.,
Charge transfer and polarization screening in organic thin films: phthalocyanines on Au (100).
Applied Physics A, 95(1), pp.173-178, 2009.
Greiner, M.T., Helander, M.G., Wang, Z.B. and Lu, Z.H.,
Transfer-arm evaporator cell for rapid loading and deposition of organic thin films.
Review of Scientific Instruments, 80(12), p.125101, 2009.
Iketaki, K., Kanai, K., Shimizu, A., Kubo, T., Wang, Z.H., Ouchi, Y., Morita, Y., Nakasuji, K. and Seki, K.,
Scanning tunneling microscopy study of a phenalenyl-based singlet biradical on graphite.
The Journal of Physical Chemistry C, 113(4), pp.1515-1519, 2009.
Entani, S., Kaji, T., Ikeda, S., Mori, T., Kikuzawa, Y., Takeuchi, H. and Saiki, K.,
Fluorine Substitution of Hexa-peri-hexabenzocoronene: Change in Growth Mode and Electronic Structure.
The Journal of Physical Chemistry C, 113(15), pp.6202-6207, 2009.
Abad, E., Ortega, J. and Flores, F.,
Density functional theory calculations and the induced density of interface states model for noble metals/C 60 interfaces.
Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures Processing, Measurement, and Phenomena, 27(4), pp.2008-2011, 2009.
Measurement and manipulation in microchannels using AC electric fields.
Doctoral dissertation, University of Victoria, 2009.
Kaasbjerg, K.,
Single-molecule junctions–polarization effects and electronic structure.
Doctoral Thesis, Niels Bohr Institute, University of Copenhagen, 2009.
Peisert, H., Kolacyak, D., Petershans, A. and Chassé, T.,
Charge transfer and polarization screening at organic/metal interfaces: single crystalline versus polycrystalline gold.
In Interface Controlled Organic Thin Films (pp. 147-151). Springer, Berlin, Heidelberg, 2009.
Duhm, S., Gerlach, A., Salzmann, I., Bröker, B., Johnson, R.L., Schreiber, F. and Koch, N.,
PTCDA on Au (1 1 1), Ag (1 1 1) and Cu (1 1 1): Correlation of interface charge transfer to bonding distance.
Organic Electronics, 9(1), pp.111-118, 2008.
Krause, S., Casu, M.B., Schöll, A. and Umbach, E.,
Determination of transport levels of organic semiconductors by UPS and IPS.
New Journal of Physics, 10(8), p.085001, 2008.
Schwalb, C.H., Sachs, S., Marks, M., Schöll, A., Reinert, F., Umbach, E. and Höfer, U.,
Electron lifetime in a Shockley-type metal-organic interface state.
Physical review letters, 101(14), p.146801, 2008.
Kaasbjerg, K. and Flensberg, K.,
Strong polarization-induced reduction of addition energies in single-molecule nanojunctions.
Nano letters, 8(11), pp.3809-3814, 2008.
Betti, M.G., Kanjilal, A., Mariani, C., Vázquez, H., Dappe, Y.J., Ortega, J. and Flores, F.,
Barrier formation at organic interfaces in a Cu (100)-benzenethiolate-pentacene heterostructure.
Physical review letters, 100(2), p.027601, 2008.
D’Avino, G., Grisanti, L., Guasch, J., Ratera, I., Veciana, J. and Painelli, A.,
Bistability in Fc-PTM crystals: The role of intermolecular electrostatic interactions.
Journal of the American Chemical Society, 130(36), pp.12064-12072, 2008.
Peisert, H., Petershans, A. and Chassé, T.,
Charge transfer and polarization screening at organic/metal interfaces: Distinguishing between the first layer and thin films.
The Journal of Physical Chemistry C, 112(15), pp.5703-5706, 2008.
Ino, D., Yamada, T. and Kawai, M.,
Luminescence from 3, 4, 9, 10-perylenetetracarboxylic dianhydride on Ag (111) surface excited by tunneling electrons in scanning tunneling microscopy.
The Journal of chemical physics, 129(1), p.014701, 2008.
Casu, M.B.,
Evidence for efficient screening in organic materials.
physica status solidi (RRL)–Rapid Research Letters, 2(1), pp.40-42, 2008.
Lei, S. and Feyter, S.D.,
STM, STS and Bias-dependent imaging on organic monolayers at the solid–liquid interface.
STM and AFM studies on (bio) molecular systems: unravelling the nanoworld, pp.269-312, 2008.
Salomon, E., Zhang, Q., Barlow, S., Marder, S.R. and Kahn, A.,
Photoemission studies of interfaces between a tris (thieno) hexaazatriphenylene derivative and metals.
Organic electronics, 9(6), pp.944-951, 2008.
Magulick, J., Beerbom, M.M. and Schlaf, R.,
Polarization lowering of charge injection barriers at a ribonucleic acid/Au interface.
Journal of Applied Physics, 104(12), p.123701, 2008.
Schwalb, C.,
Untersuchung der Elektronendynamik an der PTCDA-Ag (111)-Grenzfläche
Doctoral dissertation, Marburg University, 2008.
Chan, C.K.F.,
Materials, properties, and applications of nitrogen-doped organic semiconductors.
Doctoral dissertation, Princeton University, 2008.
宗像利明,
有機薄膜のマイクロビーム顕微光電子分光.
Journal of the Vacuum Society of Japan, 51(6), pp.351-356, 2008.
Weiler, U.,
Silizium-Farbstoff-Hybridsysteme für die Photovoltaik: Präparation und Eigenschaften.
Doctoral dissertation, TU Darmstadt, 2008.
Schwalb, C.,
Investigation of the electron dynamics at the PTCDA/Ag (111)-interface; Untersuchung der Elektronendynamik an der PTCDA-Ag (111)-Grenzflaeche.
Doctoral dissertation, Marburg University, Germany, 2008.
Tautz, F.S.,
Structure and bonding of large aromatic molecules on noble metal surfaces: The example of PTCDA.
Progress in Surface Science, 82(9-12), pp.479-520, 2007.
Vázquez, H., Dappe, Y.J., Ortega, J. and Flores, F.,
Energy level alignment at metal/organic semiconductor interfaces:“Pillow” effect, induced density of interface states, and charge neutrality level.
The Journal of chemical physics, 126(14), p.144703, 2007.
Yang, X., Li, Q. and Shuai, Z.,
Theoretical modelling of carrier transports in molecular semiconductors: molecular design of triphenylamine dimer systems.
Nanotechnology, 18(42), p.424029, 2007.
Zahn, D.R.T, Gavrila, G.N. and Salvan, G.,
Electronic and vibrational spectroscopies applied to organic/inorganic interfaces.
Chemical reviews, 107(4), pp.1161-1232, 2007.
Vázquez, H., Flores, F. and Kahn, A.,
Induced density of states model for weakly-interacting organic semiconductor interfaces.
Organic Electronics, 8(2-3), pp.241-248, 2007.
Bendounan, A., Forster, F., Schöll, A., Batchelor, D., Ziroff, J., Umbach, E. and Reinert, F.,
Electronic structure of 1 ML NTCDA/Ag (1 1 1) studied by photoemission spectroscopy.
Surface science, 601(18), pp.4013-4017, 2007.
Wagner, C., Franke, R. and Fritz, T.,
Evaluation of I (V) curves in scanning tunneling spectroscopy of organic nanolayers.
Physical Review B, 75(23), p.235432, 2007.
Casu, M.B., Zou, Y., Kera, S., Batchelor, D., Schmidt, T. and Umbach, E.,
Investigation of polarization effects in organic thin films by surface core-level shifts.
Physical Review B, 76(19), p.193311, 2007.
Ha, S.D., Kaafarani, B.R., Barlow, S., Marder, S.R. and Kahn, A.,
Multiphase growth and electronic structure of ultrathin hexaazatrinaphthylene on Au (111).
The Journal of Physical Chemistry C, 111(28), pp.10493-10497, 2007.
Sugiyama, T., Sasaki, T., Kera, S., Ueno, N. and Munakata, T.,
Photoemission microspectroscopy and imaging of bilayer islands formed in monolayer titanyl phthalocyanine films.
Chemical Physics Letters, 449(4-6), pp.319-322, 2007.
Méndez, H., Thurzo, I. and Zahn, D.R.T.,
Experimental study of charge transport mechanisms in a hybrid metal/organic/inorganic device.
Physical Review B, 75(4), p.045321, 2007.
Alloway, D.,
Characterization of organic/organic'heterojunctions: electronic and optical measurement of ordered interfaces and ultrathin film heterojunctions
Doctoral dissertation, The University of Arizona, 2007.
Mitsui, M. and Nakajima, A.,
Formation of large molecular cluster anions and elucidation of their electronic structures.
Bulletin of the Chemical Society of Japan, 80(6), pp.1058-1074, 2007.
Hwang, J.,
Energetics of conjugated polymer and electrode interfaces in light emitting diode
Doctoral dissertation, Princeton University, 2007.
Simulación de imágenes de microscopía de barrido por efecto túnel (stm) de moléculas orgánicas adsorbidas en superficies metálicas.
Doctoral dissertation, Universidad Autónoma Metropolitana, 2007.
Neaton, J.B., Hybertsen, M.S. and Louie, S.G.,
Renormalization of molecular electronic levels at metal-molecule interfaces.
Physical review letters, 97(21), p.216405, 2006.
Zou, Y., Kilian, L., Schöll, A., Schmidt, T., Fink, R. and Umbach, E.,
Chemical bonding of PTCDA on Ag surfaces and the formation of interface states.
Surface Science, 600(6), pp.1240-1251, 2006.
Zahn, D.R.T., Gavrila, G.N. and Gorgoi, M.,
The transport gap of organic semiconductors studied using the combination of direct and inverse photoemission.
Chemical Physics, 325(1), pp.99-112, 2006.
Yin, S., Yi, Y., Li, Q., Yu, G., Liu, Y. and Shuai, Z.,
Balanced carrier transports of electrons and holes in silole-based compounds a theoretical study.
The Journal of Physical Chemistry A, 110(22), pp.7138-7143, 2006.
Chan, C.K., Kim, E.G., Brédas, J.L. and Kahn, A.,
Molecular n‐type doping of 1, 4, 5, 8‐naphthalene tetracarboxylic dianhydride by pyronin B studied using direct and inverse photoelectron spectroscopies.
Advanced Functional Materials, 16(6), pp.831-837, 2006.
Kraft, A., Temirov, R., Henze, S.K.M., Soubatch, S., Rohlfing, M. and Tautz, F.S.,
Lateral adsorption geometry and site-specific electronic structure of a large organic chemisorbate on a metal surface.
Physical Review B, 74(4), p.041402, 2006.
Nicoara, N., Román, E., Gómez-Rodríguez, J.M., Martín-Gago, J.A. and Méndez, J.,
Scanning tunneling and photoemission spectroscopies at the PTCDA/Au (1 1 1) interface.
Organic electronics, 7(5), pp.287-294, 2006.
Stadler, C., Hansen, S., Pollinger, F., Kumpf, C., Umbach, E., Lee, T.L. and Zegenhagen, J.,
Structural investigation of the adsorption of SnPc on Ag (111) using normal-incidence x-ray standing waves.
Physical Review B, 74(3), p.035404, 2006.
Scifo, L., Dubois, M., Brun, M., Rannou, P., Latil, S., Rubio, A. and Grévin, B.,
Probing the electronic properties of self-organized poly (3-dodecylthiophene) monolayers by two-dimensional scanning tunneling spectroscopy imaging at the single chain scale.
Nano letters, 6(8), pp.1711-1718, 2006.
Kampen, T.U.,
Electronic structure of organic interfaces–a case study on perylene derivatives.
Applied Physics A, 82(3), pp.457-470, 2006.
Hipps, K.W.,
Scanning tunneling spectroscopy (STS).
In Handbook of applied solid state spectroscopy (pp. 305-350). Springer, Boston, MA, 2006.
Sugiyama, T., Sasaki, T., Kera, S., Ueno, N. and Munakata, T.,
Intermolecular and interlayer interactions in copper phthalocyanine films as measured with microspot photoemission spectroscopy.
Applied physics letters, 89(20), p.202116, 2006.
Ishii, H., Hayashi, N., Ito, E., Washizu, Y., Sugi, K., Kimura, Y. and Seki, K.,
Metal Interfaces: Examination of Fermi Level Alignment.
Phys. Org. Semicond, 3, p.69, 2006.
Bandyopadhyay, A., Nittoh, K., Wakayama, Y., Yagi, S. and Miki, K.,
Global tuning of local molecular phenomena: An alternative approach to bionanoelectronics.
The Journal of Physical Chemistry B, 110(42), pp.20852-20857, 2006.
Electronic Properties of Phthalocyanines Deposited on H-Si (111).
Thesis, Technische Universität Chemnitz, Germany, 2006.
Vázquez Melis, H.,
Energy level alignment at organic semiconductor interfaces.
Doctoral Thesis, 2006.
Qenawe, A.A.A.,
Study of some physical properties of Nickel Tetraphenyl Porphyrin Thin Films.
Doctoral dissertation, South Valley University, 2006.
Knupfer, M. and Peisert, H.,
Semiconductors and Metals.
In Physics of Organic Semiconductors, ed. by W. Brutting, Wiley-VCH Verlag, ISBN: 978-3-527-40550-3, p.41, 2006.
Alkauskas, A.,
Energy level alignment and site-selective adsorption of large organic molecules on noble metal surfaces.
Doctoral dissertation, University of Basel, 2006.
Painelli, A. and Terenziani, F.,
Collective and Cooperative Phenomena in Molecular Functional Materials.
In Non-Linear Optical Properties of Matter (pp. 251-282). Springer, Dordrecht, 2006.
Pröhl, H.,
Optische Eigenschaften ultradünner PTCDA-& TiOPc-Einzel-und Heteroschichten: vom Einzelmolekül zum molekularen Festkörper.
Doctoral dissertation, TU Dresden, 2006.
D’Andrade, B.W., Datta, S., Forrest, S.R., Djurovich, P., Polikarpov, E. and Thompson, M.E.,
Relationship between the ionization and oxidation potentials of molecular organic semiconductors.
Organic Electronics, 6(1), pp.11-20, 2005.
Ruiz, R., Papadimitratos, A., Mayer, A.C. and Malliaras, G.G.,
Thickness dependence of mobility in pentacene thin‐film transistors.
Advanced Materials, 17(14), pp.1795-1798, 2005.
Amy, F., Chan, C. and Kahn, A.,
Polarization at the gold/pentacene interface.
Organic Electronics, 6(2), pp.85-91, 2005.
Cahen, D., Kahn, A. and Umbach, E.,
Energetics of molecular interfaces.
Materials Today, 8(7), pp.32-41, 2005.
Salomon, A., Boecking, T., Chan, C.K., Amy, F., Girshevitz, O., Cahen, D. and Kahn, A.,
How do electronic carriers cross Si-bound alkyl monolayers?.
Physical review letters, 95(26), p.266807, 2005.
Knupfer, M. and Paasch, G.,
Origin of the interface dipole at interfaces between undoped organic semiconductors and metals.
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, 23(4), pp.1072-1077, 2005.
Alkauskas, A., Ramoino, L., Schintke, S., von Arx, M., Baratoff, A., Güntherodt, H.J. and Jung, T.A.,
Energy level alignment at metal− octaethylporphyrin interfaces.
The Journal of Physical Chemistry B, 109(49), pp.23558-23563, 2005.
Vázquez, H., Flores, F. and Kahn, A.,
Role of the charge neutrality level at metal/organic and organic/organic interfaces.
In Int. Symp. Super-Functionality Organic Devices (Vol. 6, pp. 1-5), 2005.
Anazawa, T., Tsukada, M. and Kataoka, Y.,
Charge injection spectroscopy of Alq3 thin films deposited on bare and LiF-modified metal substrates.
Microelectronic engineering, 81(2-4), pp.222-228, 2005.
Knupfer, M. and Schwieger, T.,
Chemisorption at interfaces between organic semiconductors and metals: role of the electron affinity.
Applied surface science, 252(1), pp.77-80, 2005.
Ghallab, Y.H.,
A novel CMOS electric field imager for lab-on-a-chip and biomedical applications.
Doctoral Thesis, University of Calgary, 2005.
Knupfer, M. and Peisert, H.,
Electronic properties of interfaces between model organic semiconductors and metals.
Physics of Organic Semiconductors, pp.41-67, 2005.
Weiler, U.,
Silizium-Farbstoff-Hybridsysteme für die Photovoltaik
Doctoral dissertation, Technische Universität, 2005.
Gavrila, G.N.,
Electronic properties and chemistry of metal/organic semiconductor/S-GaAs (100) heterosructures.
Doctoral dissertation, Technischen Universitat Chemnitz, 2005.
Cahen, D., Kahn, A. and Umbach, E.,
Energetics of molecular interfaces.
Materials Today, 8, 7, pp.32-41, 2005.
Zhu, X.Y.,
Electronic structure and electron dynamics at molecule–metal interfaces: implications for molecule-based electronics.
Surface Science Reports, 56(1-2), pp.1-83, 2004.
Ishii, H., Hayashi, N., Ito, E., Washizu, Y., Sugi, K., Kimura, Y., Niwano, M., Ouchi, Y. and Seki, K.,
Kelvin probe study of band bending at organic semiconductor/metal interfaces: examination of Fermi level alignment.
Physica status solidi (a), 201(6), pp.1075-1094, 2004.
Vázquez, H., Oszwaldowski, R., Pou, P., Ortega, J., Pérez, R., Flores, F. and Kahn, A.,
Dipole formation at metal/PTCDA interfaces: Role of the Charge Neutrality Level.
EPL (Europhysics Letters), 65(6), p.802, 2004.
Vázquez, H., Flores, F., Oszwaldowski, R., Ortega, J., Pérez, R. and Kahn, A.,
Barrier formation at metal–organic interfaces: dipole formation and the charge neutrality level.
Applied surface science, 234(1-4), pp.107-112, 2004.
Knupfer, M. and Peisert, H.,
Electronic properties of interfaces between model organic semiconductors and metals.
Physica Status solidi (a), 201(6), pp.1055-1074, 2004.
Ghallab, Y. and Badawy, W.,
Sensing methods for dielectrophoresis phenomenon: from bulky instruments to lab-on-a-chip.
IEEE Circuits and Systems Magazine, 4(3), pp.5-15, 2004.
Schöll, A., Zou, Y., Schmidt, T., Fink, R. and Umbach, E.,
High-resolution photoemission study of different NTCDA monolayers on Ag (111): Bonding and screening influences on the line shapes.
The Journal of Physical Chemistry B, 108(38), pp.14741-14748, 2004.
Soos, Z.G., Tsiper, E.V. and Painelli, A.,
Polarization in organic molecular crystals and charge-transfer salts.
Journal of luminescence, 110(4), pp.332-341, 2004.
Ino, D., Watanabe, K., Takagi, N. and Matsumoto, Y.,
Ultrafast excited state dynamics in 3, 4, 9, 10-perylene tetracarboxylic dianhydride (PTCDA) thin films.
Chemical physics letters, 383(3-4), pp.261-265, 2004.
Ghijsen, J., Johnson, R.L., Elschner, A. and Koch, N.,
VUV photoemission using synchrotron light: a tool for characterising surfaces and interfaces occurring in OLEDs.
Journal of alloys and compounds, 382(1-2), pp.179-186, 2004.
Eilmes, A. and Munn, R.W.,
A test of the method of images at the surface of molecular materials.
The Journal of chemical physics, 120(8), pp.3887-3892, 2004.
Terenziani, F., Painelli, A. and Soos, Z.G.,
Static polarizability of molecular materials: environmental and vibrational contributions.
Journal of Computational Methods in Sciences and Engineering, 4(4), pp.703-720, 2004.
Kahn, A., Koch, N. and Gao, W.,
Electronic structure and electrical properties of interfaces between metals and π‐conjugated molecular films.
Journal of Polymer Science Part B: Polymer Physics, 41(21), pp.2529-2548, 2003.
Koch, N., Kahn, A., Ghijsen, J., Pireaux, J.J., Schwartz, J., Johnson, R.L. and Elschner, A.A.,
Conjugated organic molecules on metal versus polymer electrodes: Demonstration of a key energy level alignment mechanism.
Applied Physics Letters, 82(1), pp.70-72, 2003.
Gao, W. and Kahn, A.,
Controlled p doping of the hole-transport molecular material N, N′-diphenyl-N, N′-bis (1-naphthyl)-1, 1′-biphenyl-4, 4′-diamine with tetrafluorotetracyanoquinodimethane.
Journal of Applied Physics, 94(1), pp.359-366, 2003.
Peisert, H., Knupfer, M., Schwieger, T., Fuentes, G.G., Olligs, D., Fink, J. and Schmidt, T.,
Fluorination of copper phthalocyanines: Electronic structure and interface properties.
Journal of applied physics, 93(12), pp.9683-9692, 2003.
Dürr, A.C., Koch, N., Kelsch, M., Rühm, A., Ghijsen, J., Johnson, R.L., Pireaux, J.J., Schwartz, J., Schreiber, F., Dosch, H. and Kahn, A.,
Interplay between morphology, structure, and electronic properties at diindenoperylene-gold interfaces.
Physical Review B, 68(11), p.115428, 2003.
Tsiper, E.V. and Soos, Z.G.,
Electronic polarization in pentacene crystals and thin films.
Physical Review B, 68(8), p.085301, 2003.
Gao, W. and Kahn, A.,
Electrical doping: the impact on interfaces of π-conjugated molecular films.
Journal of Physics: Condensed Matter, 15(38), p.S2757, 2003.
Nicoara, N., Custance, O., Granados, D., Garcia, J.M., Gomez-Rodriguez, J.M., Baro, A.M. and Méndez, J.,
Scanning tunnelling microscopy and spectroscopy on organic PTCDA films deposited on sulfur passivated GaAs (001).
Journal of Physics: Condensed Matter, 15(38), p.S2619, 2003.
Hoffmann, M.,
Mixing of Frenkel and charge-transfer excitons and their quantum confinement in thin films.
Thin Films and Nanostructures, 31, pp.221-292, 2003.
Cen, E.G.,
An integrated microchip for cellular analysis and manipulation.
Master Thesis, The University of Calgary, 2003.
Schöll A.
High-resolution investigation of the electronic structure of organic thin films.
Doctoral dissertation, Universität Würzburg, 2003.
Messina, P.,
Towards magnetic engineering at metal surfaces.
Doctoral Thesis, Ecole Polytechnique Federale de Lausanne, 2003.
Bruner, E.L.,
Controlling the work function of indium tin oxide with organometallic surface complexes.
Doctoral dissertation, Princeton University, 2003.
Soos, Z.G. and Tsiper, E.V.,
Polarization energies, transport gap and charge transfer states of organic molecular crystals.
Macromol. Symp., 212, pp.1-12, 2003.
Sin, J.M., Tsiper, E.V. and Soos, Z.G.,
Atomic multipolar contributions to electronic polarization in organic molecular crystals.
EPL (Europhysics Letters), 60(5), p.743, 2002.
Li, Y.,
Dielectrophoresis based integrated circuit fluidic biological cell separation.
Master's Thesis, University of Calgary, 2002.