Search Results - "BELJONNE, D"

Charge-transfer excitations steer the Davydov splitting and mediate singlet exciton fission in pentacene by Beljonne, D, Yamagata, H, Brédas, J L, Spano, F C, Olivier, Y

“…Quantum-chemical calculations are combined to a model Frenkel-Holstein Hamiltonian to assess the nature of the lowest electronic excitations in the pentacene…”
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Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead by Olivier, Y, Sancho-Garcia, J.-C, Muccioli, L, D’Avino, G, Beljonne, D

“…Thermally activated delayed fluorescence (TADF) offers promise for all-organic light-emitting diodes with quantum efficiencies competing with those of…”
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Robust singlet fission in pentacene thin films with tuned charge transfer interactions by Broch, K., Dieterle, J., Branchi, F., Hestand, N. J., Olivier, Y., Tamura, H., Cruz, C., Nichols, V. M., Hinderhofer, A., Beljonne, D., Spano, F. C., Cerullo, G., Bardeen, C. J., Schreiber, F.

“…Singlet fission, the spin-allowed photophysical process converting an excited singlet state into two triplet states, has attracted significant attention for…”
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The Singlet-Triplet Exchange Energy in Conjugated Polymers by Köhler, A., Beljonne, D.

“…Electron–electron interactions in organic semiconductors split the lowest singlet and triplet states by the exchange energy, ΔEST. Measurement of singlet and…”
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Exploring the Energy Landscape of the Charge Transport Levels in Organic Semiconductors at the Molecular Scale by Cornil, J, Verlaak, S, Martinelli, N, Mityashin, A, Olivier, Y, Van Regemorter, T, D’Avino, G, Muccioli, L, Zannoni, C, Castet, F, Beljonne, D, Heremans, P

“…The extraordinary semiconducting properties of conjugated organic materials continue to attract attention across disciplines including materials science,…”
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Electronic Structure and Charge Transport in Nanostripped Graphene by Lian, J. X, Lherbier, A, Wang, L. J, Charlier, J.-C, Beljonne, D, Olivier, Y

“…An attractive strategy to generate semiconducting graphene layers is delineating rows of sp3 defects along the armchair direction that disrupt the…”
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Interchain Interactions in Organic π-Conjugated Materials: Impact on Electronic Structure, Optical Response, and Charge Transport by Cornil, J., Beljonne, D., Calbert, J.-P., Brédas, J.-L.

“…The pioneering work of Heeger, MacDiarmid, and Shirakawa, rewarded by the 2000 Nobel Prize in Chemistry, has paved the way for the development of the fields of…”
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Spin−Orbit Coupling and Intersystem Crossing in Conjugated Polymers:  A Configuration Interaction Description by Beljonne, D, Shuai, Z, Pourtois, G, Bredas, J. L

“…Configuration−interaction calculations are performed to describe the singlet and triplet excited states of oligothiophene and oligo(phenylene ethynylene)…”
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Interchain vs. Intrachain Energy Transfer in Acceptor-Capped Conjugated Polymers by Beljonne, D., Pourtois, G., Silva, C., Hennebicq, E., Herz, L. M., Friend, R. H., Scholes, G. D., Setayesh, S., Müllen, K., Brédas, J. L.

“…The energy-transfer processes taking place in conjugated polymers are investigated by means of ultrafast spectroscopy and correlated quantum-chemical…”
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Tuning the Work Function of Graphene-on-Quartz with a High Weight Molecular Acceptor by Christodoulou, C, Giannakopoulos, A, Nardi, M. V, Ligorio, G, Oehzelt, M, Chen, L, Pasquali, L, Timpel, M, Giglia, A, Nannarone, S, Norman, P, Linares, M, Parvez, K, Müllen, K, Beljonne, D, Koch, N

“…Ultraviolet and X-ray photoelectron spectroscopies in combination with density functional theory (DFT) calculations were used to study the change in the work…”
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CH-π Interactions as the Driving Force for Silicone-Based Nanocomposites with Exceptional Properties by Beigbeder, A., Linares, M., Devalckenaere, M., Degée, P., Claes, M., Beljonne, D., Lazzaroni, R., Dubois, P.

“…The preparation and the characterization of nanotubes‐reinforced poly(dimethyl)siloxane nanocomposites is reported. Surprisingly the use of “self pure”…”
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Singlet and triplet exciton formation rates in conjugated polymer light-emitting diodes by Shuai, Z, Beljonne, D, Silbey, RJ, Bredas, JL

“…By applying a molecular orbital perturbation approach, we calculate the formation rates for singlet and triplet molecular excitons associated with…”
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Role of Dimensionality on the Two-Photon Absorption Response of Conjugated Molecules: The Case of Octupolar Compounds by Beljonne, D., Wenseleers, W., Zojer, E., Shuai, Z., Vogel, H., Pond, S.J.K., Perry, J.W., Marder, S.R., Brédas, J.-L.

“…A comparative study of the two‐photon absorption (TPA) properties of octupolar compounds and their dipolar one‐dimensional counterparts is presented on the…”
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2D excitons as primary energy carriers in organic crystals: the case of oligoacenes by Emelianova, E V, Athanasopoulos, S, Silbey, R J, Beljonne, D

“…A number of organic crystals show anisotropic excitonic couplings, with weak interlayer interactions between molecules that are more strongly coupled within…”
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Quantum-Chemical Design of Host Materials for Full-Color Triplet Emission by Avilov, I., Marsal, P., Brédas, J.-L., Beljonne, D.

“…Ab‐initio calculations have been used to show, via a rigorous treatment of molecular topology and substitution effects, that the position of frontier molecular…”
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Mechanisms for enhancement of two-photon absorption in donor–acceptor conjugated chromophores by Kogej, T., Beljonne, D., Meyers, F., Perry, J.W., Marder, S.R., Brédas, J.L.

“…Two-photon absorption (TPA) is a nonlinear optical process that is gaining increasing attention since it can be exploited in a number of optical applications…”
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Chain-Length Dependence of Singlet and Triplet Exciton Formation Rates in Organic Light-Emitting Diodes by Beljonne, D., Ye, A., Shuai, Z., Brédas, J.-L.

“…The operation and efficiencies of molecular or polymer organic light‐emitting diodes depend on the nature of the excited species that are formed. The lowest…”
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Enhanced triplet exciton generation in polyfluorene blends by FORD, T. A, AVILOV, I, BELJONNE, D, GREENHAM, N. C

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Limitations of the Förster Description of Singlet Exciton Migration: The Illustrative Example of Energy Transfer to Ketonic Defects in Ladder-type Poly(para-phenylenes) by Wiesenhofer, H., Beljonne, D., Scholes, G. D., Hennebicq, E., Brédas, J.-L., Zojer, E.

“…Energy‐transfer processes in phenylene‐based materials are studied via two different approaches: i) the original Förster model, which relies on a simple…”
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Optical Signature of Delocalized Polarons in Conjugated Polymers by Beljonne, D., Cornil, J., Sirringhaus, H., Brown, P. J., Shkunov, M., Friend, R. H., Brédas, J.-L.

“…Quantum‐chemical calculations, incorporating both electron–phonon and electron–electron effects, are performed on two‐chain model aggregates to assess the…”
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