Faculty Directory

Jean-Luc Bredas

Visiting Professor
Degrees and Appointments: 
Ph.D, University of Namur, Belgium, 1979
B.Sc., University of Namur, Belgium 1976
Awards and Honors: 
Award of the American Chemical Society in the Chemistry of Materials, 2016.
David Adler Award of the American Physical Society in Materials Physics, 2013.
Named to the 2011 International Chair in Chemistry, International Solvay Institutes, Belgium.
American Chemical Society Charles H. Stone Award (2010).
Elected in the Inaugural Class of Fellows of the American Chemical Society (2009) and in the Inaugural Class of Fellows of the Materials Research Society (2008).
Editor for Chemistry of Materials, published by the American Chemical Society (2008–present).
Elected Fellow of: Royal Society of Chemistry, UK (2008); Optical Society of America (2003); American Association for the Advancement of Science (1998); American Physical Society (1993).
Descartes Prize of the European Commission (2003).
Honorary Professor, Institute of Chemistry of the Chinese Academy of Sciences in Beijing (named 2003).
Doctor Honoris Causa of Univ. Libre de Bruxelles (2002).
Italgas Prize for Research and Technological Innovation in Applied Molecular Sciences (2001), shared with R.H. Friend. Quinquennial Prize for Exact Sciences of the Belgian National Science Foundation, FNRS (2000).
Doctor Honoris Causa of Linköping Univ. (2000).
Francqui Prize (1997).
Research Summary: 

Harnessing Solar Energy with Organic and Hybrid Photovoltaic Cells

Organic and hybrid solar cells are currently attracting significant interest due to a number of advantageous characteristics such as material diversity, mechanical flexibility, low-temperature processing, and large-area capability. To increase the photovoltaic response of organic solar cells, our efforts aim to address a number of fundamental issues, including: optical absorption and exciton formation; exciton dissociation and charge separation; charge carrier mobility; and charge collection at the electrodes.

We are also particularly interested in donor-acceptor (DA), i.e., low band gap, polymers that have recently garnered considerable use in bulk-heterojunction (BHJ) solar cells because of their wider photon absorption window. These polymers offer the promise of fabricating organic solar cells through solution-processing methods, which can further ease the processing demands and lower production costs. To design materials that improve overall device efficiency, we seek to understand the evolution of the structural, electronic, and optical properties of low band gap polymers that serve as the electron-donor and photon collector in bulk heterojunction solar cells. Recently, we have also become interested in evaluating the impact of coherence effects in the charge-separation process.

 

Charge and Spin Transport in π-Conjugated Materials

To develop molecular and polymer organic semiconductors with high charge-carrier mobilities in the semiconducting or metallic regime, a major challenge and opportunity lies in the understanding the inherent charge-transport mechanism.  In the absence of chemical and physical defects, the nature of charge transport depends on a subtle interplay between electronic and electron-vibration interactions.  A significant portion of our work centers on determining molecular and crystal electronic structures and evaluating electronic polarization effects in the solid state.  New developments include the evaluation of spin transport properties, as well as the characterization of the parameters describing the charge-voltage curves in organic field-effect transistors.

 

Organic Electroluminescence for Light-Emitting Diode Applications

Organic light-emitting diodes (OLEDs) offer tremendous potential for use in full-color displays and solid-state lighting. To gain a better understanding of the electronic and optical processes in OLEDs, we investigate numerous aspects, including: charge and energy transfer; aggregation effects on the electronic structure of the ground and excited states; electronic properties of host and guest materials; spin-orbit effects in organic and organo-metallic emitting complexes; and thermally assisted delayed fluorescence.

 

Two-Dimensional 2D Conjugated Polymers

Novel organic materials based on monolayers of two-dimensional conjugated polymers could provide unusual electronic, optical, electrical, and magnetic properties.  Together with our experimental partners, we are evaluating the impact of the two-dimensional characteristics and the interaction of these 2D polymers with other layered materials.

Publications: 

Heteroannulated Acceptors Based on Benzothiadiazole, T.C. Parker, D.G. Patel, K. Moudgil, S. Barlow, C. Risko, J.L. Brédas, J.R. Reynolds, and S.R. Marder,

Materials Horizons, 2, 22-36 (2015).

Temperature-Mediated Polymorphism in Molecular Crystals: The Impact on Crystal Packing and Charge Transport, L.A. Stevens, K.P. Goetz, A. Fonari, Y. Shu, R.M. Williamson, J.L. Brédas, V. Coropceanu, O.D. Jurchescu, and G.E. Collis,

Chemistry of Materials, 27, 112-118 (2015).

Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface, M. Gruenewald, L.K. Schirra, P. Winget, M. Kozlik, P.F. Ndione, A. K. Sigdel, J.J. Berry, R. Forker, J.L. Brédas, T. Fritz, and O.L.A. Monti,

Journal of Physical Chemistry C, 119, 4865-4873 (2015).

Molecular Engineering of Non-Halogenated Solution Processable Bithiazole-based Electron Transport Polymeric Semiconductors, B. Fu, C.Y. Wang, B.D. Rose, Y. Jiang, M. Chang, P.H Chu, Z. Yuan, C. Fuentes-Hernandez, B. Kippelen, J.L. Brédas, D.M. Collard, and E. Reichmanis,

Chemistry of Materials, 27, 2928-2937 (2015).

Entanglements in P3HT and their Influence on Thin-Film Mechanical Properties: Insights from Molecular Dynamics Simulations, N.R. Tummala, C. Risko, C. Bruner, R.H. Dauskardt, and J.L. Brédas,

Journal of Polymer Science, Part B: Polymer Physics, 53, 934-942 (2015).

Molecular-Scale Understanding of Cohesion and Fracture in P3HT:Fullerene Blends, N.R. Tummala, C. Bruner, C. Risko, J.L. Brédas, and R. Dauskardt,

ACS Applied Materials and Interfaces, 7, 9957-9964 (2015).

Dithieno[3,2-a:2',3'-c]phenazine-based Chemical Probe for Anions: A Spectroscopic Study of Binding, T.H. El-Assaad, S.B. Shiring, Y.A. Getmanenko, K.M. Hallal, J.L. Brédas, S.R Marder, M.H. Al-Sayah, and B.R. Kaafarani,

RSC Advances, 5, 43303-43311 (2015).

Distinguishing the Effects of Bond-Length Alternation versus Bond-Order Alternation on the Nonlinear Optical Properties of π-Conjugated Chromophores, R.L. Gieseking, C.Risko, and J.L Brédas,

Journal of Physical Chemistry Letters, 6, 2158-2162 (2015).

Rubrene: The Interplay between Intramolecular and Intermolecular Interactions Determines the Planarization of its Tetracene Core in the Solid State, C. Sutton, M.S. Marshall, C.D. Sherrill, C. Risko, and J.L. Brédas,

Journal of the American Chemical Society, 137, 8775-8782 (2015).

n-Dopants Based on Dimers of Benzimidazoline Radicals: Strutures and Mechanism of Redox Reactions, S. Zhang, B.D. Naab, E.V. Jucov, S. Parkin, E.G.B. Evans, G.L. Millhauser, T.V. Timofeeva, C. Risko, J.L Brédas, Z. Bao, S. Barlow, and S.R. Marder,

Chemistry A European Journal, 21, 10878-10885 (2015).

Nonlinear Optical Properties of X(C6H5)4 (X = B−, C, N+, P+): A New Class of Molecules with a Negative Third-Order Polarizability, R.L. Gieseking, T.R. Ensley, H. Hu, D.J. Hagan, C. Risko, E.W. Van Stryland, and J.L. Brédas,

Journal of the American Chemical Society, 137, 1935-9642 (2015).

Reliable Prediction with Tuned Range-Separated Functionals of the Singlet–Triplet Gap in Organic Emitters for Thermally Activated Delayed Fluorescence, H. Sun, C. Zhong, and J.L. Brédas,

Journal of Chemical Theory and Computation, 11, 3851-3858 (2015).

Electronic Structure of the Perylene / Zinc Oxide Interface: A Computational Study of Photoinduced Electron Transfer and Impact of Surface Defects, J. Li, H. Li, P. Winget, and J.L. Brédas,

Journal of Physical Chemistry C, 119, 18843-18858 (2015).

Mixed-Stack Architecture and Solvatomorphism of Trimeric Perfluoro-ortho-Phenylene Mercury Complexes with Dithieno [3, 2-b2’,3’-d]thiophene, R. Castaneda, V.N.Khrustalev, A. Fonari, J.L. Brédas, Y.A. Getmanenko, and T.V. Timofeeva,

Journal of Molecular Structure, 1100, 506-512 (2015).

Magnetite Fe304 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties, J. Noh, O.I. Osman, S.G. Aziz, P. Winget, and J.L. Brédas,

Chemistry of Materials, 27, 5856-5867 (2015).

Mode-Selective Vibrational Modulation of Charge Transport in Organic Electronic Devices, A.A. Bakulin, R. Lovrincic, X.Yu, O. Selig, H.J. Bakker, Y.L.L. Rezus, P.K. Nayak, A. Fonari, V. Coropceanu, J.L. Brédas, and D. Cahen,

Nature Communications, 6, 7880/1-7880/8 (2015).

Static and Dynamic Energetic Disorders in the C60, PC61BM, C70, and PC71BM Fullerenes, N.R. Tummala, Z. Zheng, S.G. Aziz, V. Coropceanu, and J.L. Brédas,

Journal of Physical Chemistry Letters, 6, 3657-3662 (2015).

Supramolecular Assembly of Complementary Cyanine Salt J-Aggregates, Z. Li, S. Mukhopadhyay, S.H. Jang, J.L. Brédas, and A.K.Y. Jen,

Journal of the American Chemical Society, 137, 11920-11923 (2015).

Controllable Molecular Aggregation and Fluorescence Properties of 1,3,4-Oxadiazole Derivatives H. Wang, F. Chen, X. Jai, H. Liu, X. Ran, M.K. Ravva, F.Q. Bai, S. Qu, M. Li, H.X. Zhang, and J.L. Brédas,

Journal of Materials Chemistry C, 3, 11681-11688 (2015).

Tetraaryl Pyrenes:  Photophysical Properties, Computational Studies, Crystal Structures, and Application in OLEDs, T.H. El-Assaad, M. Auer, R. Castaneda, K.M Hallal, F.M Jradi, L. Mosca, R.S. Khnayzer, D. Patra, T.V. Timofeeva, J.L. Brédas, E.J.L. List-Kratochvil, B. Wex, and B.R Kaafarani,

Journal of Materials Chemistry C, 4, 3041-3058 (2015).

Dynamics, Miscibility, and Morphology in Polymer-Molecule Blends: The Impact of Chemical Functionality, K. Do, C. Risko, J.E. Anthony, A. Amassian, and J.L. Brédas,

Chemistry of Materials, 27, 7643-7651 (2015).

The Density of States and the Transport Effective Mass in a Highly Oriented Semiconducting Polymer: Electronic Delocalization in 1D, B.B.Y Hsu, C.M. Cheng, C. Luo, S.N. Patel, C. Zhong, H. Sun, J. Sherman, B.H. Lee, L. Ying, M. Wang, G. Bazan, M. Chabinyc, J.L. Brédas, and A.J. Heeger,

Advanced Materials, 27, 7759-7765 (2015).

Non-Covalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs. Electronic Properties of Acenes, C. Sutton, C. Risko, and J.L. Brédas,

Chemistry of Materials, 28, 3-16 (2016).

Effect of Solvent Additives on the Solution Aggregation of Phenyl C61-Butyl Acid Methyl Ester (PCBM), N.R. Tummala, C. Sutton, S.G Aziz, M.F. Toney, C. Risko, and J.L. Brédas,

Chemistry of Materials, 27, 8261-8272 (2015).

Comparison of the Impact of Zinc Vacancies on Charge Separation and Charge Transfer at ZnO/Sexithienyl and ZnO/Fullerene Interfaces, H. Li, and J.L. Brédas,

Advanced Materials, 28, 3928-3936 (2015).

Vibrational Properties of Organic Donor-Acceptor Molecular Crystals:  Anthracene-pyromellitic-dianhydride (PMDA) as a Case Study, A. Fonari, N.S. Corbin, D. Vermeulen, K.P. Goetz, O.D. Jurchescu, L.E. McNeil, J.L. Brédas, and V. Coropceanu,

Journal of Chemical Physics, 143, 224503-224508 (2016).

Strain Effects on the Work Function of an Organic Semiconductor, Y. Wu, A.R. Chew, G.A. Rojas, G. Sini, G. Haugstad, A. Belianinov, S.V. Kalinin, H. Li, C.Risko, J.L. Brédas, A. Salleo, and C.D Frisbie,

Nature Communications, 7, 10270/1-10270/9 (2016).

An Introduction to the Electronic Structure of π-Conjugated Molecules and Polymers, and to the Concept of Electronic Bands, J.L. Brédas, S.R. Marder, and J.M. André,

in Organic Semiconductors: Basic Concepts, edited by J.L. Brédas and S.R. Marder (World Scientific, Singapore, 2016).

DFT 101 and Applications to π-Conjugated Systems, T. Körzdörfer and J.L. Brédas,

in Organic Semiconductors: Basic Concepts, edited by J.L. Brédas and S.R. Marder (World Scientific, Singapore, 2016).

Charge Transport in Crystallline Organic Semicoductors, Y.Li, V.Coropceanu, and J.L. Brédas,

in Organic Semiconductors: Basic Concepts, edited by J.L. Brédas and S.R. Marder (World Scientific, Singapore, 2016).

Understanding the Relationships among Molecular Structure, Excited-State Properties, and Polarizabilities of π-Conjugated Chromophores, R.L Gieseking, C. Risko, S.R Marder, and J.L. Brédas,

in Organic Semiconductors: Basic Concepts, edited by J.L. Brédas and S.R. Marder (World Scientific, Singapore, 2016).

Passivation of Molecular π-Doping: Exploring the Limits of Air Stability, M.L Tietze, B.D. Rose, M. Schwarze, A.Fischer, S. Runge, J. Blockwitz-Nimoth, B. Lüssem, K. Leo, and J.L. Brédas,

Advanced Functional Materials, 26, 3730-3737 (2016).

Spectroscopy and Control of Near-Surface Defects in Conductive Thin Film ZnO, L.L. Kelly, D.A. Racke, P. Schulz, H.Li, P. Winget, H. Kim, P. Ndoine, A.K. Sigdel, J.L. Brédas, J.J. Berry, S. Graham, and O.L.A Monti,

Journal of Physics: Condensed Matter, 28, 1-9 (2016).

Characterizing the Polymer Fullerene Intermolecular Interactions, S. Sweetnam, K. Vandewal, E.K. Cho, C. Risko, V. Coropceanu, J.L. Brédas, and M.D. McGehee,

Chemistry of Materials, 28, 1446-1452 (2016).

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules 1. Reference Data at the CCSD(T) Complete Basis Set Limit, R.M. Richard, M.S. Marshall, O. Dolgounitcheva, J.V. Ortiz, , J.L. Brédas, N. Marom, and C. D Sherrill,

Journal of Chemical Theory and Computation, 12, 595-604 (2016).

Impact of Fluorine Substituents on π-Conjugated Polymer Main-Chain Conformations, Packing, and Electronic Couplings, K. Do, Q. Saleem, M.K. Ravva, F. Cruciani, K. Zhipeng, J. Wokf, M.R. Hanse, P.M. Beaujuge, and J.L. Brédas,

Advanced Materials (2016).

An Efficient Naphthalenediimide-Based Hole Semiconducting Polymer with Vinylene Linkers Between Donor and Acceptor Units, L. Zhang, B. Rose, Y. Liu, M. Nahid, E. Gann, J. Ly, W. Zhao, S. Rosa, T. Russell, A. Facchetti, C. McNeill, J.L. Brédas, and A. Briseno,

Chemistry of Materials (2016).

Work Function Reduction by a Redox-Active Organometallic Sandwich Complex, A. Hyla, P. Winget, H. Li, C. Risko, and J.L. Brédas,

Organic Electronics (2016).

Polarization Energies at Organic Interfaces: Impact on the Charge Separation Barrier at Donor-Acceptor Interfaces in Organic Solar Cells, S. Ryno, Y.T. Fu, C. Risko, and J.L. Brédas,

ACS Applied Materials and Interfaces; 8, 15524-15534 (2016).

Charge Delocalization in Oligomers of Poly(2,5-bis(3-alkylthiophene-2-yl){3,2-b}thiophene), PBTTT, Y. Zhang, R. Steyrleuthner, and J.L. Brédas,

Journal of Physical Chemistry C; 120, 9671-9677 (2016).

Spiro-OMeTAD Single Crystals: Remarkably Enhanced Charge-Carrier Transport via Mesoscale Ordering, D. Shi, X. Qin, Y. Li, Y. He, C. Zhong, J. Pan, H. Dong, W. Xu, T. Li, W. Hu, J.L. Brédas, and O. Bakr,

Science Advances, 2, 1-6 (2016).

Impact of the Nature of the Side-Chains in the Polymer-Fullerene Packing in the Mixed Regions of Bulk Heterojunction Solar Cells, T. Wang, M.K. Ravva, and J.L. Brédas,

Advanced Functional Materials (2016).

Thieno [3,4-c]pyrrole-4,6-dione3,4-Difluorothiophene Polymer Acceptors for Efficient All-Polymer BHJ Solar Cells, S. Liu, Z. Kan, S. Thomas, F. Cruciani, J.L. Brédas, and P. Beaujuge,

Wiley-VCH Communications; In press (2016).

Nature of the Binding Interactions between Conjugated Polymer Chains and Fullerenes in Bulk Heterojunction Organic Solar Cells, M.K. Ravva, T. Wang, and J.L. Brédas,

Chemistry of Materials (2016).

Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM) – Tuned Rge-Separated Density Functional Approach, H. Sun, S. Ryno, C. Zhong, M.K. Ravva, .Z. Sun, T. Körzdörfer, and J.L. Brédas,

Journal of Chemical Theory and Computation; 12, 2906-2916 (2016).

Phosphonic Acids for Interfacial Engineering of Transparent Conductive Oxides, S.A. Paniagua, A.J. Giordano, O.L. Smith, S. Barlow, H. Li, N.R. Armstrong, J.E. Pemberton, J.L. Brédas, D. Ginger, and S.R. Marder,

Chemical Reviews, 116, 7117-7158 (2016).

Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors, S.M. Ryno, C. Risko, and J.L. Brédas,

ACS Applied Materials and Interfaces 8, 14053-14062 (2016).

1053.  Benchmarking Density Functional Theory Approaches for the Description of Symmetry-Breaking in Long Polymethine Dyes, R.L Gieseking, M.K. Ravva, V. Coropceanu, and J.L. Brédas,

Journal of Physcial Chemistry C, 120, 9975-9984 (2016).

To Bend or Not to Bend – are Heteroatom Interactions within Conjugated Molecules effective in Dictating Conformation and Planarity?, G. Conboy, H.J. Spencer, E. Angioni, A.L. Kanibolotsky, N.J. Findlay, S.J. Cole, C. Wilson, M.B. Pitak, C.Risko, V. Coropceanu, J.L. Brédas, and P.J. Skabara,

Materials Horizons, 3, 333-339 (2016).

Noncovalent Interactions and Impact of Charge Penetration Effects in Linear Oligoacene Dimers and Single Crystals, S.M Ryno, C. Risko, and J.L. Brédas,

Chemistry of Materials; 28, 3990-4000 (2016).

Packing and Disorder in Substituted Fullerenes, N.R. Tummala, S.A.K. Elroby, S. G. Aziz, C. Risko, V. Coropceanu, and J.L. Brédas,

The Journal of Physical Chemistry; DOI: 10.1021/acs.jpcc.6b05197, (2016).

Description of the Charge Transfer States at the Pentacene/C60 Interface: Combining Range-Separated Hybrid Functionals with the Polarizable Continuum Model Z. Zheng, J.L. Brédas, and V. Coropceanu,

The Journal of Physical Chemistry Letters; 7, 2616-2621 (2016)

Molecular Understanding of Fullerene – Electron Donor Interations in Organic Solar Cells S.M. Ryno, M.K. Ravva, X. Chen, H.Li, and J.L. Brédas,

Wiley-VCH; In press (2016).

Surface Polarization Drives Photoinduced Charge Separation at the P3HT/Water Interface,  E. Mosconi, P. Salvatori, M.L. Saba, A. Mattoni, S. Bellani, F. Bruni, B.S. Gonzalez, M.R. Antognazza, S. Brovelli, G. Lanzani, H. Li, J.L. Brédas, and F. De Angelis;

ACS Energy Letters; 1, 454-463 (2016).

Effect of Substituents on the Electronic Structure and Degradation Process in Carbazole Derivatives for Blue OLED Host Materials, M. Hong, M.K. Ravva, P. Winget, and J.L. Brédas,

Chemistry of Materials; In press (2016).

Unipolar Electron Transport Polymers: A Thiazole Based all Electron Acceptor Approach, Z. Yuan, B. Fu, S. Thomas, S. Zhang, G. DeLuca, R. Chang, L. Lopez, C. Fares, G. Zhang, J.L. Brédas, E. Reichmanis,

Chemistry of Materials; DOI: 10.1021/acs.chemmater.6b01929 (2016). 

Effect of Molecular Packing and Charge Delocalization on the Nanradiative Recombination of Charge-Transfer States in Organic Solar Cells, X.Chen, M.K. Ravva, H.Li, S.M Ryno, and J.L. Brédas,

Advanced Energy Materials, DOI: 10.1002/aenm.201601325 (2016).

LIST OF PUBLICATIONS:

Publications Link