Jean-Luc Brédas

Professor and Chair in Molecular Design
Georgia Research Alliance Eminent Scholar

Office: MSE 2100M

Phone: 404-385-4986

Fax: 404-894-7452

B.S. 1976; Ph.D., 1979, University of Namur, Belgium

Descartes Prize of the European Union - 2003; Italgas Prize for Research and Technological Innovation in Molecular Sciences - 2001; Quinquennial Prize of the Belgian National Science Foundation - 2000; Francqui Prize - 1997. Dr. Brédas holds an extraordinary professorship from the University of Mons-Hainaut (Belgium), honorary degrees from Linköping University (Sweden) and Université Libre de Bruxelles, and an honorary professorship from the Institute of Chemistry of the Chinese Academy of Sciences in Beijing; he is an elected Fellow of the American Association for the Advancement of Science, the American Physical Society and the Optical Society of America, and an associate member of the Royal Academy of Belgium. He is among the top 100 most cited chemists in the world over the past ten years and is included in the list of the Highly Cited Researchers for Chemistry; his h-index is currently over 80. He serves as an Editor for Chemistry of Materials.

Research Interests

The research activities of the group deal with the structural, electronic, optical and interfacial properties of novel organic (nano) materials with promising characteristics in the field of electronics, photonics, and information technology. Our work is devoted to theoretical investigations based on powerful computational techniques derived from quantum chemistry and condensed-matter physics. With such an approach, we are able to model compounds and materials reliably in order to understand and/or predict their electronic and optical properties. The major part of our studies involves polymer and oligomer materials (plastics) with a p-conjugated backbone. Our goal is to determine the nature of the physico-chemical mechanisms leading, for instance, to: high electrical conductivities in the semiconducting or metallic regime; strong luminescence or photovoltaic response; outstanding nonlinear optical properties; specific surface interactions with other materials, such as metals. Among the major topics currently investigated are the following:

Investigation of the electronic properties of conjugated polymer, oligomer, or molecular materials, for applications in new-generation semiconducting devices, such as light-emitting diodes, photovoltaic components, or field-effect transistors.

The display on this shaver (manufactured by Philips) was the first conjugated polymer-based electroluminescent display on the market in July 2002.

Design, on the basis of theoretical calculations, of new oligomer or polymer structures leading to enhanced second/third-order nonlinear optical properties, with a current focus on two-photon absorption and electro-optic processes.

Investigation of the electronic structure of organic/metal interfaces, focusing on the interactions at the molecular level between metal electrodes and conjugated polymers, oligomers, or molecules.

Evaluation of the mechanisms for charge carrier or excitation transport in conjugated organic materials based on electron transfer and energy transfer models. Investigation of the properties of organic mixed-valence compounds

Representative Publications

"Materials for Multiphoton 3D Microfabrication", S.R. Marder, J.L. Brédas, and J.W. Perry,
MRS Bulletin, 32, 561-565 (2007).

"A New Quantum-Chemical Approach to Electronic Coupling: Application to Charge Separation and Charge Recombination Pathways in a Model Molecular Donor-Acceptor System for Organic Solar Cells", T. Kawatsu, V. Coropceanu, A. Ye, and J.L. Brédas,
Journal of Physical Chemistry.

"Impact of Bidirectional Charge Transfer and Molecular Distortions on the Electronic Structure of a Metal-Organic Interface", L. Romaner, G. Heimel, J.L. Brédas, and E. Zojer,
Physical Review Letters, 99, 256801/1-256801/4 (2007).

"Experimental and Theoretical Study of Temperature Dependent Exciton Delocalization and Relaxation in Anthracene Thin Films", T.-S. Ahn, A.M. Müller, R.O. Al-Kaysi, F.C. Spano, J.E. Norton, D. Beljonne, J.L. Brédas, and C.J. Bardeen,
Journal of Chemical Physics.

"Bis(di-4-alkoxyphenyl)amino Derivatives of Dithienylethene, Bithiophene, Dithienothiophene, and Dithienopyrrole: Palladium-catalysed Synthesis and Highly Delocalised Radical Cations", S. Odom, K. Lancaster, L. Beverina, N. Lefler, N. Thompson, V. Coropceanu, J.L. Brédas, S.R. Marder, and S. Barlow,
Chemistry - A European Journal, 13, 9637-9646 (2007).

"Design of Emission Ratiometeric Metal-Ion Sensors with Enhances Two-Photon Cross-Section and Brightness", S. Sumalekshmy, M. Henary, N., Siegel, P. Lawson, Y. Wu, K. Schmidt, J.L. Brédas, J.W. Perry, and C. Fahrni,
Journal of the American Chemical Society, 129, 11888-11889 (2007).

"Charge Transport Parameters of the Pentathienoacene Crystal", E.G. Kim, V. Coropceanu, N. Gruhn, R. Sanchez, R. Snoeberger, A. Matzger, and J.L. Brédas,
Journal of the American Chemical Society, 129, 13072-13081 (2007).

"Synthesis, Ionization Potentials, and Electron Affinities of Hexaazatrinaphthylene Derivatives", S. Barlow, Q. Zhang, B.R. Kaafarani, C. Risko, F. Amy, C.K. Chan, B. Domercq, Z.A. Starikova, M.Yu. Antipin, T.V. Timofeeva, B. Kippelen, J.L. Brédas, A. Kahn, and S.R. Marder,
Chemistry - A European Journal, 13, 3537-3547 (2007).

"High Two-Photon Cross-Sections in Bis(diarylaminostyryl) Chromophores with Electron-rich Heterocycle and Bis(Heterocycle)Vinylene Bridges", S. Zheng, L. Beverina, S. Barlow, E. Zojer, J. Fu, L.A. Padilha, C. Fink, O. Kwon, Y. Yi, Z. Shuai, E.W. Van Stryland, D.J. Hagan, J.L. Brédas, and S.R. Marder,
Chemical Communications, 13, 1372-1374 (2007).

"Ambipolar Transport in Organic Conjugated Materials", J. Cornil, J.L. Brédas, and C. Fahrni,
Advanced Materials, 19, 1791-1977 (2007).

"Hole-Vibronic Coupling in Oligothiophenes: Impact of Backbone Torsional Flexibility on Relaxation Energies", D.A. da Silva Filho, V. Coropceanu, D. Fichou, N.E. Gruhn, T.G. Bill, J. Gierschner, J. Cornil, and J.L. Brédas,
Philosophical Transactions of the Royal Society, 365, 1435-1452 (2007).

"Photoelectron Spectroscopic Study of the Electronic Band Structure of Polyfluorene and Fluorene-Arylamine Copolymers at Interfaces", J. Hwang, E.G. Kim, J. Liu, J.L. Brédas, A. Duggal, and A. Kahn,
Journal of Physical Chemistry C, 111, 1378-1384, (2007).

“Charge Transport in Organic Semiconductors”, V. Coropceanu, J. Cornil, D.A. da Silva Filho, Y. Olivier, R. Silbey, and J.L. Brédas,
Chemical Reviews, 107, 926-952 (2007).

“Towards Control of the Metal-Organic Interfacial Electronic Structure in Molecular Electronics: A First-Principles Study of Self-Assembled Monolayers of p-Conjugated Molecules on Noble Metals”, G. Heimel, L. Romaner, E. Zojer, and J.L. Brédas, NanoLetters, 7, 932-940 (2007).

"Molecular Origin of the Temperature-Dependent Energy Migration in a Rigid-Rod Ladder-Phenylene Molecular Host", H. Wiesenhofer, E. Zojer, E.J.W. List, U. Scherf, J.L. Brédas, and D. Beljonne,
Advanced Materials, 18, 310-314 (2006).

"Vibronic Coupling in Organic Semiconductors: The Case of Fused Polycyclic Benzene-thiophene Structures", V. Coropceanu, O. Kwon, B. Wex, B.R. Kaafarani, N.E. Gruhn, J.C. Durivage, D. C. Neckers, and J.L. Brédas,
Chemistry, A European Journal, 12, 2073-2080 (2006).

"The Impact of Symmetric Modes on Intramolecular Electron Transfer: A Semiclassical Approach", V. Coropceanu, S.I. Boldyrev, C. Risko, and J.L. Brédas,
Chemical Physics, 326, 107-114 (2006).

"Vibronic Coupling in the Ground and Excited States of Oligoacene Cations", R.S. Sánchez-Carrera, V. Coropceanu, D.A. da Silva Filho, R. Friedlein, W. Osikowicz, R. Murdey, C. Suess, W.R. Salaneck, and J.L. Brédas,
Journal of Physical Chemistry B, 110, 18904-18911 (2006).

"Probing Charge Transport in -Stacked Fluorene-Based Systems", V. Coropceanu, T. Nakano, N.E. Gruhn, O. Kwon, T. Yade, K. Katsukawa, and J.L. Brédas,
Journal of Physical Chemistry B, 110, 9482-9487 (2006).

"Excited-State Properties and Emission Spectra of Nonplanar Heterocyclic Helicenes", K. Schmidt, V. Coropceanu, J.L. Brédas, S. Brovelli, F. Meinardi, R. Tubino, C. Bazzini, and T. Caronna,
Journal of Physical Chemistry B, 110, 11018-11024 (2006).

"Magnus' Green Salt Revisited: Impact of Platinum-Platinum Interactions on Electronic Structure and Carrier Mobilities", E.G. Kim, K. Schmidt, W.R. Caseri, T. Kreouzis, N. Stingelin-Stutzmann, and J.L. Brédas,
Advanced Materials, 18, 2039-2043 (2006).

"Quantum-Chemical Investigation of Second-Order Nonlinear Optical Chromophores: Comparison of Strong Nitrile-Based Acceptor End Groups and Role of Auxiliary Donors and Acceptors", A. Leclercq, E. Zojer, S.H. Jang, S. Barlow, V. Geskin, A.K.Y. Jen, S.R. Marder, and J.L. Brédas,
Journal of Chemical Physics, 124, 044510/1-044510/7 (2006).

"Intra- and Intermolecular Proton Transfer in 1H(2H)-1,2,3-Triazole Based Systems", Z. Zhou, R. Liu, J. Wang, S. Li, M. Liu, and J.L. Brédas,
Journal of Physical Chemistry A, 110, 2322-2324 (2006).

"Pathways for Resonant Energy Transfer in Oligophenylenevinylene-fullerene Dyads: An Atomistic Model", T. Hukka, T. Toivonen, E. Hennebicq, J.L. Brédas, R.A.J. Janssen, and D. Beljonne,
Advanced Materials, 18, 1301-1306 (2006).

"The Effect of Electronic Polarization on Charge Transport Parameters in Molecular Organic Semiconductors", E.F. Valeev, V. Coropceanu, D.A. da Silva Filho, S. Salman, and J.L. Brédas,
Journal of the American Chemical Society, 128, 9882-9886 (2006).

"Interface Energetics and Level Alignment at Covalent Metal-Molecule Junctions: p-Conjugated Thiols on Gold", G. Heimel, L. Romaner, J.L. Brédas, and E. Zojer,
Physical Review Letters, 96, 196806/1-196806/4 (2006).

"A New Class of Mixed-Valence Systems with Orbitally Degenerate Organic Redox Centers. Examples Based on Hexa-Rhenium Molecular Prisms", P. Dinolfo, V. Coropceanu, J.L. Brédas, and J. Hupp,
Journal of the American Chemical Society, 128, 12592-12593 (2006).

"N- and P-Channel Transport Behavior in Thin Film Transistors Based on Tricyanovinyl-Capped Oligothiophenes", X. Cai, M. Burand, C. Newman, D. da Silva Filho, T. Pappenfus, M. Bader, J.L. Brédas, K. Mann, and C. Frisbie,
Journal of Physical Chemistry B, 110, 14590-14597 (2006).

"Stretching and Breaking of a Molecular Junction", L. Romaner, G. Heimel, M. Gruber, J.L. Brédas, and E. Zojer,
Small, 2, 1468-1475 (2006).

"Extended Squaraine Dyes with Large Two-Photon Absorption Cross-Sections", S.-J. Chung, S. Zheng, T. Odani, L. Beverina, J. Fu, L.A. Padilha, A. Biesso, J.M. Hales, X. Zhan, K. Schmidt, A. Ye, E. Zojer, S. Barlow, D.J. Hagan, E.W. Van Stryland, Y. Yi, Z. Shuai, G.A. Pagani, J.L. Brédas, J.W. Perry, and S.R. Marder,
Journal of the American Chemical Society, 128, 14444-14445 (2006).

"Isolation and Crystal Structures of Two Singlet Bis(Triarylamine) Dications with Nonquinoidal Geometries", S. Zheng, S. Barlow, C. Risko, T.L. Kinnibrugh, V.N. Khrustalev, S. Jones, M.Y. Antipin, N.M. Tucker, T.V. Timofeeva, V. Coropceanu, J.L. Brédas, and S.R. Marder,
Journal of the American Chemical Society, 128, 1812-1817 (2006).

"Organic Transistors: A Polarized Response", V. Coropceanu and J.L. Brédas,
Nature Materials, 5, 929-930 (2006).

"Organic/Metal Interfaces in Self-Assembled Monolayers of Conjugated Thiols: A First-Principles Benchmark Study", G. Heimel, L. Romaner, J.L. Brédas, and E. Zojer,
Surface Science, 600, 4548-4562 (2006).

"Limitations of the Förster Description of Singlet Exciton Migration: The Illustrative Example of Energy Transfer to Ketonic Defects in Ladder Type Poly(para-phenylenes)", H. Wiesenhofer, E. Hennebicq, D. Beljonne, J.L. Brédas, and E. Zojer,
Advanced Functional Materials, 15, 155-160 (2005).

"A Mixed-Valence Bis(diarylamino)stilbene: Crystal Structure and Comparison of Electronic Coupling with Biphenyl and Tolane Analogues", S. Barlow, C. Risko, V. Coropceanu, N. M. Tucker, S. C. Jones, Z. Levi, V. N. Khrustalev, M. Antipin, T. L. Kinnibrugh, T. Timofeeva, S. R. Marder, and J.L. Brédas,
Chemical Communications, 764-766 (2005).

"Strong Two-Photon Absorption at Telecommunications Wavelengths in a Dipolar Chromophore with a Pyrrole Auxiliary Donor and Thiazole Auxiliary Acceptor", L. Beverina, J. Fu, A. Leclercq, E. Zojer, P. Pacher, S. Barlow, E.W. Van Stryland, D.J. Hagan, J.L. Brédas, and S.R. Marder,
Journal of the American Chemical Society, 127, 7282-7283 (2005).

"Electron Affinities of 1,1-Diaryl-2,3,4,5-tetraphenylsiloles: Direct Measurements and Comparison with Experimental and Theoretical Estimates", X. Zhan, C. Risko, F. Amy, C. Chan, W. Zhao, S. Barlow, A. Kahn, J.L. Brédas, and S.R. Marder,
Journal of the American Chemical Society, 127, 9021-9029 (2005).

"Transport Properties in the Rubrene Crystal: Electronic Coupling and Vibrational Reorganization Energy", D.A. da Silva Filho, E.G. Kim, and J.L. Brédas,
Advanced Materials, 17, 1072-1076 (2005).

"Electronic Coupling in Tetraanisylarylenediamine Mixed-Valence Systems: The Interplay between Bridge Energy and Geometric Factors", C. Lambert, C. Risko, V. Coropceanu, J. Schelter, S. Amthor, N. Gruhn, J. Durivage, and J.L. Brédas,
Journal of the American Chemical Society, 127, 8508-8516 (2005).

"Shallow Trap States in Pentacene Thin Films from Molecular Sliding", J.H. Kang, D.A. da Silva Filho, J.L. Brédas, and X.Y. Zhu,
Applied Physics Letters, 86, 152115/1-152115/3 (2005).

"Photoinduced Charge Generation and Recombination Dynamics in Model Donor/Acceptor Pairs for Organic Solar Cell Applications: A Full Quantum-Chemical Treatment", V. Lemaur, M. Steel, D. Beljonne, J.L. Brédas, and J. Cornil,
Journal of the American Chemical Society, 127, 6077-6086 (2005).

"Exciton Migration in Rigid-Rod Conjugated Polymers: An Improved Förster Model", E. Hennebicq, G. Pourtois, G.D. Scholes, J.M. Herz, D. M. Russell, C. Silva, S. Setayesh, A.C. Grimsdale, K. Müllen, J.L. Brédas, and D. Beljonne,
Journal of the American Chemical Society, 127, 4744-4762 (2005).

"Intervalence Transitions in the Mixed-Valence Monocations of Bis(triarylamines) Linked with Vinylene and Phenylene-Vinylene Bridges", S. Barlow, C. Risko, S.J. Chung, N.M. Tucker, V. Coropceanu, S.C. Jones, Z. Levi, J.L. Brédas, and S.R. Marder,
Journal of the American Chemical Society, 127, 16900-16911 (2005).

"High Charge-carrier Mobility in an Amorphous Hexaazatrinaphthylene Derivative", B. Kaafarani, T. Kondo, J. Yu, Q. Zhang, D. Dattilo, C. Risko, S. Jones, S. Barlow, B. Domercq, A. Fabrice, A. Kahn, J.L. Brédas, B. Kippelen, and S.R. Marder,
Journal of the American Chemical Society, 127, 16358-16359 (2005).

"Borderline Class II/III Ligand-Centered Mixed Valency in a Porphyrinic Molecular Rectangle", P.H. Dinolfo, S.J. Lee, V. Coropceanu, J.L. Brédas, and J.T. Hupp,
Inorganic Chemistry, 44, 5789-5797 (2005).

"Two-Photon Absorption in Quadrupolar -Conjugated Molecules: Influence of the Nature of the Conjugated Bridge and the Donor-Acceptor Separation", E. Zojer, D. Beljonne, P. Pacher, and J.L. Brédas,
Chemistry - A European Journal, 10, 2668-2680 (2004).

"Quantum-Chemical Design of Host Materials for Full-Color Triplet Emission", I. Avilov, P. Marsal, J.L. Brédas, and D. Beljonne,
Advanced Materials, 16, 1624-1629 (2004).

"Singlet-Triplet Splitting of Geminate Electron-Hole Pairs in Conjugated Polymers", A. Kadashchuk, A. Vakhnin, I. Blonski, D. Beljonne, Z. Shuai, J.L. Brédas, V.I. Arkhipov, P. Heremans, E.V. Emelianova, and H. Bässler,
Physical Review Letters, 93, 066803 01-04 (2004).

"Chain-Length Dependence of Singlet and Triplet Formation Rates in Organic Light-Emitting Diodes", D. Beljonne, A. Ye, Z. Shuai, and J.L. Brédas,
Advanced Functional Materials, 14, 684-692 (2004).

"Ketonic Defects in Ladder-Type Poly(p-phenylene)s", L. Romaner, G. Heimel, H. Wiesenhofer, P. Scandiucci de Freitas, U. Scherf , J.L. Brédas, E. Zojer, and E.J.W. List,
Chemistry of Materials, 16, 4667-4674 (2004).

"Electronic Structure of Organic Photovoltaic Materials: Modelling of Exciton Dissociation and Charge Recombination Processes", J. Cornil, V. Lemaur, M.C. Steel, H. Dupin, A. Burquel, D. Beljonne, and J.L. Brédas,
in "Organic Photovoltaics: Mechanisms, Materials, and Devices", edited by S. Sun and N.S. Sariciftci (Marcel Dekker, New York).

"Multimode Analysis of the Gas-Phase Photoelectron Spectra in Oligoacenes", M. Malagoli, V. Coropceanu, D.A. da Silva Filho, and J.L. Brédas,
Journal of Chemical Physics, 120, 7490-7496 (2004).

"Metal-Ion Sensing Fluorophores with Large Two-Photon Absorption Cross Sections: Aza-Crown Ether Substituted Donor-Acceptor-Donor Distyrylbenzenes", S.J.K. Pond, O. Tsutsumi, M. Rumi, O. Kwon, E. Zojer, J.L. Brédas, S.R. Marder, and J.W. Perry,
Journal of the American Chemical Society, 126, 9291-9306 (2004).

"Vibronic Coupling in the Ground and Excited States of the Naphtalene Cation", D.A. da Silva Filho, R. Friedlein, V. Coropceanu, G. Ohrwalf, W. Osikowicz, C. Suess, S.L. Sorensen, S. Svensson, W.R. Salaneck, and J.L. Brédas,
Chemical Communications, 15, 1702-1703 (2004).

"Molecular Hosts for Triplet Emission in Light Emitting Diodes: A Quantum-Chemical Study", P. Marsal, I. Avilov, D.A. da Silva Filho, J.L. Brédas, and D. Beljonne,
Chemical Physics Letters, 392, 521-528 (2004).

"Delocalization in Platinum-Alkynyl Systems: A Metal-Bridged Organic Mixed-Valence Compound", S.C. Jones, V. Coropceanu, S. Barlow, T. Kinnibrugh, T. Timofeeva, J.L. Brédas, and S.R. Marder,
Journal of the American Chemical Society, 126, 11782-11783 (2004).

"Introduction to Organic Thin Film Transistors and Design of N-Channel Organic Semiconductors", C.R. Newman, C.D. Frisbie, D.A. da Silva Filho, J.L. Brédas, P.C. Ewbank, and K.R. Mann,
Chemistry of Materials, 16, 4436-4451 (2004).

"Charge-Transfer and Energy-Transfer Processes in -Conjugated Oligomers and Polymers", J.L. Brédas, D. Beljonne, V. Coropceanu, and J. Cornil,
Chemical Reviews, 104, 4971-5004 (2004).

"Electronic Delocalization in Discotic Liquid Crystals: A Joint Experimental and Theoretical Study", X. Crispin, J. Cornil, R. Friedlein, K. Kamiya Okudaira, V. Lemaur, A. Crispin, G. Kestemont, M. Lehmann, M. Fahlman, R. Lazzaroni, Y. Geerts, G. Wendin, N. Ueno, J.L. Brédas, and W.R. Salaneck,
Journal of the American Chemical Society, 126, 11889-11899 (2004).

"Preparation and Characterization of p-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations", D.E. Janzen, M.W. Burand, P.C. Ewbank, T.M. Pappenfus, H. Higuchi, D.A. da Silva Filho, V.G. Young, J.L. Brédas, and K.R. Mann,
Journal of the American Chemical Society, 126, 15295-15308 (2004).

"Organic Thin Film Transistors Based on N-Alkyl Perylene Diimides: Charge Transport Kinetics as a Function of Gate Voltage and Temperature", R.J. Chesterfield, J.C. McKeen, C.R. Newman, P.C. Ewbank, D.A. da Silva Filho, J.L. Brédas, L.L. Miller, K.R. Mann, and C.D. Frisbie,
Journal of Physical Chemistry B, 108, 19281-19292 (2004).

"Electronic Properties of Silole-Based Organic Semiconductors", C. Risko, G. P. Kushto, Z. H. Kafafi, and J.L. Brédas,
Journal of Chemical Physics, 121, 9031-9038 (2004).