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2020

A Deep Blue B,N-Doped Heptacene Emitter That Shows Both Thermally Activated Delayed Fluorescence and Delayed Fluorescence by Triplet-Triplet Annihilation

Suresh, S. M., Duda, E., Hall, D., Yao, Z., Bagnich, S., Slawin, A. M. Z., Bässler, H., Beljonne, D., Buck, M., Olivier, Y., Köhler, A. & Zysman-Colman, E., 8 Apr 2020, In : Journal of the American Chemical Society. 142, 14, p. 6588-6599 12 p.

Research output: Contribution to journalArticle

Exciton efficiency beyond the spin statistical limit in organic light emitting diodes based on anthracene derivatives

Sharma, N., Wong, M. Y., Hall, D., Spuling, E., Tenopala-Carmona, F., Privitera, A., Copley, G., Cordes, D. B., Slawin, A. M. Z., Murawski, C., Gather, M. C., Beljonne, D., Olivier, Y., Samuel, I. D. W. & Zysman-Colman, E., 21 Mar 2020, In : Journal of Materials Chemistry C. 8, 11, p. 3773-3783 11 p.

Research output: Contribution to journalArticle

Improving Processability and Efficiency of Resonant TADF Emitters: A Design Strategy

Hall, D., Suresh, S. M., dos Santos, P. L., Duda, E., Bagnich, S., Pershin, A., Rajamalli, P., Cordes, D. B., Slawin, A. M. Z., Beljonne, D., Köhler, A., Samuel, I. D. W., Olivier, Y. & Zysman-Colman, E., 1 Jan 2020, In : Advanced Optical Materials. 8, 2, 1901627.

Research output: Contribution to journalArticle

Open Access

Intramolecular Borylation via Sequential B−Mes Bond Cleavage for the Divergent Synthesis of B,N,B-Doped Benzo[4]helicenes

Knöller, J. A., Meng, G., Wang, X., Hall, D., Pershin, A., Beljonne, D., Olivier, Y., Laschat, S., Zysman-Colman, E. & Wang, S., 17 Feb 2020, In : Angewandte Chemie - International Edition. 59, 8, p. 3156-3160 5 p.

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2019

Comprehensive modelling study of singlet exciton diffusion in donor-acceptor dyads: When small changes in chemical structure matter

Londi, G., Dilmurat, R., D'Avino, G., Lemaur, V., Olivier, Y. & Beljonne, D., 1 Jan 2019, In : Physical Chemistry Chemical Physics. 21, 45, p. 25023-25034 12 p.

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Crossed 2D versus Slipped 1D π-Stacking in Polymorphs of Crystalline Organic Thin Films: Impact on the Electronic and Optical Response

Aliaga-Gosalvez, M. J., Demitri, N., Dohr, M., Roldao, J. C., Park, S. K., Oh, S., Varghese, S., Park, S. Y., Olivier, Y., Milián-Medina, B., Resel, R. & Gierschner, J., 1 Nov 2019, In : Advanced Optical Materials. 7, 21, 1900749.

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Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules

Pershin, A., Hall, D., Lemaur, V., Sancho-Garcia, J. C., Muccioli, L., Zysman-Colman, E., Beljonne, D. & Olivier, Y., 5 Feb 2019, In : Nature Communications. 10, 1, p. 597 597.

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Impact of structural anisotropy on electro-mechanical response in crystalline organic semiconductors

Gali, S. M., Quarti, C., Olivier, Y., Cornil, J., Truflandier, L., Castet, F., Muccioli, L. & Beljonne, D., 1 Jan 2019, In : Journal of Materials Chemistry C. 7, 15, p. 4382-4391 10 p.

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Multiple Charge Transfer States in Donor–Acceptor Heterojunctions with Large Frontier Orbital Energy Offsets

Khan, S-U-Z., Londi, G., Liu, X., Fusella, M. A., D’Avino, G., Muccioli, L., Brigeman, A. N., Niesen, B., Yang, T. C-J., Olivier, Y., Dull, J. T., Giebink, N. C., Beljonne, D. & Rand, B. P., 10 Sep 2019, In : Chemistry of Materials. 31, 17, p. 6808-6817 10 p.

Research output: Contribution to journalArticle

Photoluminescence Quenching Probes Spin Conversion and Exciton Dynamics in Thermally Activated Delayed Fluorescence Materials

Yurash, B., Nakanotani, H., Olivier, Y., Beljonne, D., Adachi, C. & Nguyen, T. Q., 24 May 2019, In : Advanced materials. 31, 21, p. e1804490 1804490.

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Polaron spin dynamics in high-mobility polymeric semiconductors

Schott, S., Chopra, U., Lemaur, V., Melnyk, A., Olivier, Y., Di Pietro, R., Romanov, I., Carey, R. L., Jiao, X., Jellett, C., Little, M., Marks, A., McNeill, C. R., McCulloch, I., McNellis, E. R., Andrienko, D., Beljonne, D., Sinova, J. & Sirringhaus, H., 1 Aug 2019, In : Nature Physics. 15, 8, p. 814-822 9 p.

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Resilience to Conformational Fluctuations Controls Energetic Disorder in Conjugated Polymer Materials: Insights from Atomistic Simulations

Lemaur, V., Cornil, J., Lazzaroni, R., Sirringhaus, H., Beljonne, D. & Olivier, Y., 10 Sep 2019, In : Chemistry of Materials. 31, 17, p. 6889-6899 11 p.

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Short contacts between chains enhancing luminescence quantum yields and carrier mobilities in conjugated copolymers

Thomas, T. H., Harkin, D. J., Gillett, A. J., Lemaur, V., Nikolka, M., Sadhanala, A., Richter, J. M., Armitage, J., Chen, H., McCulloch, I., Menke, S. M., Olivier, Y., Beljonne, D. & Sirringhaus, H., 13 Jun 2019, In : Nature Communications. 10, 1, p. 2614 2614.

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Tuning conformation, assembly, and charge transport properties of conjugated polymers by printing flow

Park, K. S., Kwok, J. J., Dilmurat, R., Qu, G., Kafle, P., Luo, X., Jung, S. H., Olivier, Y., Lee, J. K., Mei, J., Beljonne, D. & Diao, Y., 9 Aug 2019, In : Science Advances. 5, 8, p. eaaw7757 eaaw7757.

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2018

Application of Rubrene Air-Gap Transistors as Sensitive MEMS Physical Sensors

Pereira, M. J., Matta, M., Hirsch, L., Dufour, I., Briseno, A., Gali, S. M., Olivier, Y., Muccioli, L., Crosby, A., Ayela, C. & Wantz, G., 5 Dec 2018, In : ACS Applied Materials and Interfaces. 10, 48, p. 41570-41577 8 p.

Research output: Contribution to journalArticle

Carbene-Metal-Amide Bond Deformation, Rather Than Ligand Rotation, Drives Delayed Fluorescence

Taffet, E. J., Olivier, Y., Lam, F., Beljonne, D. & Scholes, G. D., 5 Apr 2018, In : Journal of Physical Chemistry Letters. 9, 7, p. 1620-1626 7 p.

Research output: Contribution to journalArticle

Collective molecular switching in hybrid superlattices for light-modulated two-dimensional electronics

Gobbi, M., Bonacchi, S., Lian, J. X., Vercouter, A., Bertolazzi, S., Zyska, B., Timpel, M., Tatti, R., Olivier, Y., Hecht, S., Nardi, M. V., Beljonne, D., Orgiu, E. & Samorì, P., 1 Dec 2018, In : Nature Communications. 9, 1, 2661.

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Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes

Wong, M. Y., Krotkus, S., Copley, G., Li, W., Murawski, C., Hall, D., Hedley, G. J., Jaricot, M., Cordes, D. B., Slawin, A. M. Z., Olivier, Y., Beljonne, D., Muccioli, L., Moral, M., Sancho-Garcia, J. C., Gather, M. C., Samuel, I. D. W. & Zysman-Colman, E., 3 Oct 2018, In : ACS Applied Materials and Interfaces. 10, 39, p. 33360-33372 13 p.

Research output: Contribution to journalArticle

N-doped cycloparaphenylenes: Tuning electronic properties for applications in thermally activated delayed fluorescence

Graham, C., Moral, M., Muccioli, L., Olivier, Y., Pérez-Jiménez, Á. J. & Sancho-García, J. C., 15 Jun 2018, In : International Journal of Quantum Chemistry. 118, 12, e25562.

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Robust singlet fission in pentacene thin films with tuned charge transfer interactions

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., 5 Mar 2018, In : Nature Communications. 9, 1, p. 954 954.

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Unusual electromechanical response in rubrene single crystals

Matta, M., Pereira, M. J., Gali, S. M., Thuau, D., Olivier, Y., Briseno, A., Dufour, I., Ayela, C., Wantz, G. & Muccioli, L., 1 Jan 2018, In : Materials Horizons. 5, 1, p. 41-50 10 p.

Research output: Contribution to journalArticle

Vibrationally Assisted Intersystem Crossing in Benchmark Thermally Activated Delayed Fluorescence Molecules

Evans, E. W., Olivier, Y., Puttisong, Y., Myers, W. K., Hele, T. J. H., Menke, S. M., Thomas, T. H., Credgington, D., Beljonne, D., Friend, R. H. & Greenham, N. C., 19 Jul 2018, In : Journal of Physical Chemistry Letters. 9, 14, p. 4053-4058 6 p.

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2017

Donor-acceptor stacking arrangements in bulk and thin-film high-mobility conjugated polymers characterized using molecular modelling and MAS and surface-enhanced solid-state NMR spectroscopy

Chaudhari, S. R., Griffin, J. M., Broch, K., Lesage, A., Lemaur, V., Dudenko, D., Olivier, Y., Sirringhaus, H., Emsley, L. & Grey, C. P., 1 Jan 2017, In : Chemical Science. 8, 4, p. 3126-3136 11 p.

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Dynamic nature of excited states of donor-acceptor TADF materials for OLEDs: How theory can reveal structure-property relationships

Olivier, Y., Moral, M., Muccioli, L. & Sancho-García, J. C., 1 Jan 2017, In : Journal of Materials Chemistry C. 5, 23, p. 5718-5729 12 p.

Research output: Contribution to journalArticle

Estimation of π-π Electronic Couplings from Current Measurements

Trasobares, J., Rech, J., Jonckheere, T., Martin, T., Aleveque, O., Levillain, E., Diez-Cabanes, V., Olivier, Y., Cornil, J., Nys, J. P., Sivakumarasamy, R., Smaali, K., Leclere, P., Fujiwara, A., Théron, D., Vuillaume, D. & Clément, N., 10 May 2017, In : Nano Letters. 17, 5, p. 3215-3224 10 p.

Research output: Contribution to journalArticle

Highly Luminescent 2D-Type Slab Crystals Based on a Molecular Charge-Transfer Complex as Promising Organic Light-Emitting Transistor Materials

Park, S. K., Kim, J. H., Ohto, T., Yamada, R., Jones, A. O. F., Whang, D. R., Cho, I., Oh, S., Hong, S. H., Kwon, J. E., Kim, J. H., Olivier, Y., Fischer, R., Resel, R., Gierschner, J., Tada, H. & Park, S. Y., 27 Sep 2017, In : Advanced materials. 29, 36, 1701346.

Research output: Contribution to journalArticle

Measurements of Ambipolar Seebeck Coefficients in High-Mobility Diketopyrrolopyrrole Donor–Acceptor Copolymers

Broch, K., Venkateshvaran, D., Lemaur, V., Olivier, Y., Beljonne, D., Zelazny, M., Nasrallah, I., Harkin, D. J., Statz, M., Pietro, R. D., Kronemeijer, A. J. & Sirringhaus, H., 1 Nov 2017, In : Advanced Electronic Materials. 3, 11, 1700225.

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Open Access

Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence

Olivier, Y., Yurash, B., Muccioli, L., D'Avino, G., Mikhnenko, O., Sancho-García, J. C., Adachi, C., Nguyen, T. Q. & Beljonne, D., 27 Dec 2017, In : Physical Review Materials. 1, 7, 075602.

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Periodic potentials in hybrid van der Waals heterostructures formed by supramolecular lattices on graphene

Gobbi, M., Bonacchi, S., Lian, J. X., Liu, Y., Wang, X. Y., Stoeckel, M. A., Squillaci, M. A., D'Avino, G., Narita, A., Müllen, K., Feng, X., Olivier, Y., Beljonne, D., Samorì, P. & Orgiu, E., 21 Mar 2017, In : Nature Communications. 8, 14767.

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Ultrafast Exciton-to-Polaron Conversion in Densely Packed Small Organic Semiconducting Molecules

Kozlov, O. V., Luponosov, Y. N., Solodukhin, A. N., Flament, B., Olivier, Y., Lazzaroni, R., Cornil, J., Ponomarenko, S. A. & Pshenichnikov, M. S., 3 Apr 2017, In : Advanced Optical Materials. 5, 7, 1700024.

Research output: Contribution to journalArticle

2016

Charge Separation and Recombination at Polymer-Fullerene Heterojunctions: Delocalization and Hybridization Effects

D'Avino, G., Muccioli, L., Olivier, Y. & Beljonne, D., 4 Feb 2016, In : Journal of Physical Chemistry Letters. 7, 3, p. 536-540 5 p.

Research output: Contribution to journalArticle

Do charges delocalize over multiple molecules in fullerene derivatives?

D'Avino, G., Olivier, Y., Muccioli, L. & Beljonne, D., 1 Jan 2016, In : Journal of Materials Chemistry C. 4, 17, p. 3747-3756 10 p.

Research output: Contribution to journalArticle

Electronic Structure and Charge Transport in Nanostripped Graphene

Lian, J. X., Lherbier, A., Wang, L. J., Charlier, J. C., Beljonne, D. & Olivier, Y., 15 Sep 2016, In : Journal of Physical Chemistry C. 120, 36, p. 20024-20032 9 p.

Research output: Contribution to journalArticle

Liquid-Phase Exfoliation of Graphite into Single- and Few-Layer Graphene with α-Functionalized Alkanes

Haar, S., Bruna, M., Lian, J. X., Tomarchio, F., Olivier, Y., Mazzaro, R., Morandi, V., Moran, J., Ferrari, A. C., Beljonne, D., Ciesielski, A. & Samorì, P., 21 Jul 2016, In : Journal of Physical Chemistry Letters. 7, 14, p. 2714-2721 8 p.

Research output: Contribution to journalArticle

Temperature dependence of charge localization in high-mobility, solution-crystallized small molecule semiconductors studied by charge modulation spectroscopy

Meneau, A. Y. B., Olivier, Y., Backlund, T., James, M., Breiby, D. W., Andreasen, J. W. & Sirringhaus, H., 12 Apr 2016, In : Advanced functional materials. 26, 14, p. 2326-2333 8 p.

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Unraveling Unprecedented Charge Carrier Mobility through Structure Property Relationship of Four Isomers of Didodecyl[1]benzothieno[3,2-b][1]benzothiophene

Tsutsui, Y., Schweicher, G., Chattopadhyay, B., Sakurai, T., Arlin, J. B., Ruzié, C., Aliev, A., Ciesielski, A., Colella, S., Kennedy, A. R., Lemaur, V., Olivier, Y., Hadji, R., Sanguinet, L., Castet, F., Osella, S., Dudenko, D., Beljonne, D., Cornil, J., Samorì, P. & 2 others, Seki, S. & Geerts, Y. H., 1 Jan 2016, In : Advanced materials. p. 7106-7114 9 p.

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2015

Bis(arylene-ethynylene)-s-tetrazines: A Promising Family of n-Type Organic Semiconductors?

Moral, M., Garzón, A., Olivier, Y., Muccioli, L., Sancho-García, J. C., Granadino-Roldán, J. M. & Fernández-Gómez, M., 20 Aug 2015, In : Journal of Physical Chemistry C. 119, 33, p. 18945-18955 11 p.

Research output: Contribution to journalArticle

Bulky end-capped [1]Benzothieno[3,2-b]benzothiophenes: Reaching high-mobility organic semiconductors by fine tuning of the crystalline solid-state Order

Schweicher, G., Lemaur, V., Niebel, C., Ruzié, C., Diao, Y., Goto, O., Lee, W. Y., Kim, Y., Arlin, J. B., Karpinska, J., Kennedy, A. R., Parkin, S. R., Olivier, Y., Mannsfeld, S. C. B., Cornil, J., Geerts, Y. H. & Bao, Z., 20 May 2015, In : Advanced materials. 27, 19, p. 3066-3072 7 p.

Research output: Contribution to journalArticle

Cost-Effective Force Field Tailored for Solid-Phase Simulations of OLED Materials

Moral, M., Son, W. J., Sancho-García, J. C., Olivier, Y. & Muccioli, L., 12 Jun 2015, In : Journal of Chemical Theory and Computation. 11, 7, p. 3383-3392 10 p.

Research output: Contribution to journalArticle

Determining the cohesive energy of coronene by dispersion-corrected DFT methods: Periodic boundary conditions vs. molecular pairs

Sancho-García, J. C., Pérez-Jiménez, A. J. & Olivier, Y., 7 Feb 2015, In : Journal of chemical physics. 142, 5, 054702.

Research output: Contribution to journalArticle

First-Principles Quantum Dynamics of Singlet Fission: Coherent versus Thermally Activated Mechanisms Governed by Molecular π Stacking

Tamura, H., Huix-Rotllant, M., Burghardt, I., Olivier, Y. & Beljonne, D., 31 Aug 2015, In : Physical review letters. 115, 10, 107401.

Research output: Contribution to journalArticle

Theoretical rationalization of the singlet-triplet gap in oleds materials: Impact of charge-transfer character

Moral, M., Muccioli, L., Son, W. J., Olivier, Y. & Sancho-Garcia, J. C., 13 Jan 2015, In : Journal of Chemical Theory and Computation. 11, 1, p. 168-177 10 p.

Research output: Contribution to journalArticle

Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: Synthesis, characterization and electronic properties

Niebel, C., Kim, Y., Ruzié, C., Karpinska, J., Chattopadhyay, B., Schweicher, G., Richard, A., Lemaur, V., Olivier, Y., Cornil, J., Kennedy, A. R., Diao, Y., Lee, W. Y., Mannsfeld, S., Bao, Z. & Geerts, Y. H., 21 Jan 2015, In : Journal of Materials Chemistry C. 3, 3, p. 674-685 12 p.

Research output: Contribution to journalArticle

Ultrafast charge generation pathways in photovoltaic blends based on novel star-shaped conjugated molecules

Kozlov, O. V., Luponosov, Y. N., Ponomarenko, S. A., Kausch-Busies, N., Paraschuk, D. Y., Olivier, Y., Beljonne, D., Cornil, J. & Pshenichnikov, M. S., 1 Apr 2015, In : Advanced Energy Materials. 5, 7, 1401657.

Research output: Contribution to journalArticle

2014

25th anniversary article: High-mobility hole and electron transport conjugated polymers: How structure defines function

Olivier, Y., Niedzialek, D., Lemaur, V., Pisula, W., Müllen, K., Koldemir, U., Reynolds, J. R., Lazzaroni, R., Cornil, J. & Beljonne, D., 9 Apr 2014, In : Advanced materials. 26, 14, p. 2119-2136 18 p.

Research output: Contribution to journalArticle

Approaching disorder-free transport in high-mobility conjugated polymers

Venkateshvaran, D., Nikolka, M., Sadhanala, A., Lemaur, V., Zelazny, M., Kepa, M., Hurhangee, M., Kronemeijer, A. J., Pecunia, V., Nasrallah, I., Romanov, I., Broch, K., McCulloch, I., Emin, D., Olivier, Y., Cornil, J., Beljonne, D. & Sirringhaus, H., 20 Nov 2014, In : Nature. 515, 7527, p. 384-388 5 p.

Research output: Contribution to journalArticle

Charge dissociation at interfaces between discotic liquid crystals: The surprising role of column mismatch

Idé, J., Méreau, R., Ducasse, L., Castet, F., Bock, H., Olivier, Y., Cornil, J., Beljonne, D., D'Avino, G., Roscioni, O. M., Muccioli, L. & Zannoni, C., 19 Feb 2014, In : Journal of the American Chemical Society. 136, 7, p. 2911-2920 10 p.

Research output: Contribution to journalArticle

Maximizing singlet fission by intermolecular packing

Wang, L., Olivier, Y., Prezhdo, O. V. & Beljonne, D., 2 Oct 2014, In : Journal of Physical Chemistry Letters. 5, 19, p. 3345-3353 9 p.

Research output: Contribution to journalArticle

Polymorphism in bulk and thin films: The curious case of dithiophene-DPP(Boc)-dithiophene

Salammal, S. T., Balandier, J. Y., Arlin, J. B., Olivier, Y., Lemaur, V., Wang, L., Beljonne, D., Cornil, J., Kennedy, A. R., Geerts, Y. H. & Chattopadhyay, B., 9 Jan 2014, In : Journal of Physical Chemistry C. 118, 1, p. 657-669 13 p.

Research output: Contribution to journalArticle

Quinquephenyl: The simplest rigid-rod-like nematic liquid crystal, or is it? an atomistic simulation

Olivier, Y., Muccioli, L. & Zannoni, C., 19 May 2014, In : ChemPhysChem. 15, 7, p. 1345-1355 11 p.

Research output: Contribution to journalArticle