Profil

Olivier Yoann

Université de Mons - UMONS > Faculté des Sciences > Service de Chimie des matériaux nouveaux

Université de Mons - UMONS > Faculté des Sciences > Chimie des matériaux nouveaux


Main Research Fields
Chemistry
Physics
Phytobiology (plant sciences, forestry, mycology...)
Main Keywords
[en] higher-spin gravity; General Medicine; High Energy Physics - Experiment; High Energy Physics - Theory; Radiology, Nuclear Medicine and imaging;
Main Unit & Research Centers
CIRMAP - Centre d'Innovation et de Recherche en Matériaux Polymères
Main Co-authors
Cornil, Jérôme 
Beljonne, David 
Lemaur, Vincent 
Muccioli, L.
D'Avino, G.

Publications (total 116)

The most downloaded
10 downloads
Denis, L., Marsal, P., Olivier, Y., Godfroid, T., Lazzaroni, R., Hecq, M., Cornil, J., & Snyders, R. (22 February 2010). Deposition of Functional Organic Thin Films by Pulsed Plasma Polymerization: A Joint Theoretical and Experimental Characterization. Plasma Processes and Polymers, 7 (2), 172-181. doi:10.1002/ppap.200900131 https://hdl.handle.net/20.500.12907/32489
The most cited
3436 citations (SCOPUS)
Coropceanu, S., Cornil, J., da Silva Filho, D. A., Olivier, Y., Silbey, R. J., & Brédas, J.-L. (11 April 2007). Charge Transport in Organic Semiconductors. Chemical Reviews, 107 (4), 926-952. doi:10.1021/cr050140x https://hdl.handle.net/20.500.12907/4476

Tourneur, P., Lucas, F., Quinton, C., Olivier, Y., Lazzaroni, R., Viville, P., Cornil, J., & Poriel, C. (02 June 2020). White-light electroluminescence from a layer incorporating a single fully-organic spiro compound with phosphine oxide substituents. Journal of Materials Chemistry C, 8, 14462-14468.
Peer reviewed

Londi, G., Dilmurat, R., D'Avino, G., Lemaur, V., Olivier, Y., & Beljonne, D. (29 October 2019). Comprehensive Modelling Study of Singler Exciton Diffusion into Donor-Acceptor Dyads: When Small Changes in Chemical Structure Matter. Physical Chemistry Chemical Physics, 21, 25023-25034.
Peer Reviewed verified by ORBi

Park, K. S., Kwok, J. J., Dilmurat, R., Qu, G., Kafle, P., Luo, X., Jung, S. H., Olivier, Y., Lee, J. K., Mei, J., Diao, Y., & Beljonne, D. (09 August 2019). Tuning Conformation, Assembly, and Charge Transport Properties of Conjugated Polymers by Printing Flow. Science Advances, 5, 7757.
Peer reviewed

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., Mc Neill, C. R., Mc Culloch, I., Nc Nellis, E. R., Beljonne, D., Sinova, J., & Sirringhaus, H. (01 August 2019). Polaron Spin Dynamics in High-Mobility Polymeric Semiconductors. Nature Physics, 15, 814-822.
Peer Reviewed verified by ORBi

Yurash, B., Nakanotani, H., Olivier, Y., Beljonne, D., Adachi, C., & Nguyen, T. Q. (28 June 2019). Photoluminescence Quenching Probes Spin Conversion and Exciton Dynamics in Thermally Activated Delayed Fluorescence Materials. Advanced Materials, 31, 1804490.
Peer reviewed

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. (2019). Short Contacts Between Chains Enhancing Luminescence Quantum Yields and Carrier Mobilities in Conjugated Copolymers. Nature Communications.
Peer reviewed

Gali, S. M., Quarti, C., Olivier, Y., Cornil, J., Truflandrier, L., Castet, F., Muccioli, L., & Beljonne, D. (28 June 2019). Impact of Structural Anisotropy on Electro-Mechanical Response in Crystalline Organic Semiconductors. Journal of Materials Chemistry C, 7, 4382-4391.
Peer reviewed

Pershin, A., Hall, D., Lemaur, V., Sancho Garcia, J. C., Muccioli, L., Zysman-Colman, E., Beljonne, D., & Olivier, Y. (27 June 2019). Highly Emissive Excitons with Reduced Exchange Energy in Thermally Activated Delayed Fluorescence Molecules. Nature Communications, 10, 597.
Peer reviewed

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., Giebnik, N. C., Beljonne, D., & Rand, B. P. (18 June 2019). Multiple Charge Transfer States in donor-acceptor heterojunctions with large frontier orbital energy offsets. Chemistry of Materials, 31, 6808-6817.
Peer Reviewed verified by ORBi

Lemaur, V., Cornil, J., Lazzaroni, R., Sirringhaus, H., Beljonne, D., & Olivier, Y. (2019). Resilience to Conformational Fluctuations Controls Energetic Disorder in Conjugated Polymer Materials: Insights from Atomistic Simulations. Chemistry of Materials.
Peer Reviewed verified by ORBi

Graham, C., Moral, M., Muccioli, L., Olivier, Y., Perez-Jimenez, A. J., & Sancho Garcia, J. C. (08 October 2018). N-doped Cycloparaphenylenes: Tuning Electronic Properties for Applications in Thermally Activated Delayed Fluorescence. International Journal of Quantum Chemistry, 118.
Peer Reviewed verified by ORBi

Olivier, Y. (04 October 2018). Dissecting the nature of the relevant singlet and triplet excited states in TADF molecular materials. Paper presented at EXTMOS Summer School From Molecules To Organic Electronics Materials, Erice, Italy.

Olivier, Y., Sancho Garcia, J. C., Muccioli, L., D'Avino, G., & Beljonne, D. (28 September 2018). Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenge Ahead. Journal of Physical Chemistry Letters, 9, 6149-6163.
Peer reviewed

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., Gather, M. C., Samuel, I. D. W., & Zysman-Colman, E. (07 September 2018). Deep-Blue Oxadizaole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes. ACS Applied Materials and Interfaces, 10, 33360-33372.
Peer Reviewed verified by ORBi

Olivier, Y. (20 July 2018). A Computational Journey into the Modeling of Thermally Activated Delayed Fluorescence. Paper presented at 3rd International TADF Workshop, Fukuoka, Japan.

Olivier, Y. (28 June 2018). Modelling the Packing and Electronic Properties of Conjugated Polymer Chains. Paper presented at E-MRS 2018 Spring Meeting, Strasbourg, France.

Pereira, M. J., Matta, M., Hirsch, L., Dufour, I., Briseno, A., Gali, S. M., Olivier, Y., Muccioli, L., Crosby, A., Ayela, C., & Wantz, G. (26 June 2018). Application of Rubrene Air-Gap Transistors as Sensitive MEMS Physical Sensors. ACS Applied Materials and Interfaces, 10, 41570-41577.
Peer Reviewed verified by ORBi

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., Leclère, P., Fujiwara, A., Théron, D., Vuillaume, D., & Clément, N. (18 June 2018). Estimation of pi-pi intermolecular interactions from C-AFM on sub-10 nm Au nanodot-molecule junctions. Paper presented at E-MRS 2018 Spring Meeting, Strasbourg, France.

Olivier, Y. (24 April 2018). On the nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence. Paper presented at SPIE Photonics Europe, Strasbourg, France.

Vuillaume, D., 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., Leclère, P., Fujiwara, A., Théron, D., & Clément, N. (02 April 2018). Nanodot-Molecule Junctions Assessing Intermolecular Interactions and Electron Transport at Microwave Frequencies with C-AFM and iSMM. Paper presented at MRS Spring Meeting 2018, Phoenix AZ, United States - Arizona.

Beljonne, D., Broch, K., Dieterle, J., Branchi, F., Hestand, N. J., Olivier, Y., Tamura, H., Cruz, C., Nichols, V. M., & Hinderhofer, A. (2018). Robust Singlet Fission in Pentacene Thin Films with Tuned Charge Transfer Interacations. Nature Communications.
Peer reviewed

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. (01 January 2018). Robust Singlet Fission in Pentacene Thin Films with Tuned Charge Transfer Interacations. Nature Communications, 9, 954.
Peer reviewed

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., & Samori, P. (01 January 2018). Collective Molecular Switching in Hybrid Superlattices for Light-Modulated Two-Dimensional Electronics. Nature Communications, 9, 2661.
Peer reviewed

Taffet, E. J., Olivier, Y., Lam, F., Beljonne, D., & Scholes, G. D. (01 January 2018). Carbene-Metal-Amide Bond Deformation, Rather Than Ligand Rotation, Drives Delayed Fluorescence. Journal of Physical Chemistry Letters, 9, 1620-1626.
Peer reviewed

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. (2018). Vibrationally Assisted Intersystem Crossing in Benchmark Thermally Activated Delayed Fluorescence Molecules. Journal of Physical Chemistry Letters.
Peer reviewed

Broch, K., Venkateshvaran, D., Lemaur, V., Olivier, Y., Beljonne, D., Zelazny, M., Nasrallah, I., Harkin, D. J., Statz, M., Di Pietro, R., Kronemeijer, A. J., & Sirringhaus, H. (01 January 2018). Measurements of Ambipolar Seebeck Coefficients in High-Mobility Diketopyrrolopyrrole Donor-Acceptor Copolymers. Advanced Electronic Materials, 3, 1700225.
Peer reviewed

Olivier, Y., Yurash, B., Muccioli, L., D'Avino, G., Mikhnendo, O., Sancho-Garcia, J. C., Adachi, C., Nguyen, T. Q., & Beljonne, D. (27 December 2017). Nature of the Singlet and Triplet Excitations Mediating Thermally Activated Delayed Fluorescence. Physical Review Materials, 1 (075602). doi:10.1103/PhysRevMaterials.1.075602
Peer reviewed

S. K., P., J. H., K., T., O., R., Y., A. O. F., J., D. R., W., I., C., S., O., S. H., H., J. E., K., Jong H., K., Olivier, Y., Fischer, R., Resel, R., Gierschner, J., Tada, H., & Park, S. Y. (27 September 2017). Highly Luminescent 2D-Type Slab Crystals Based on a Molecular Charge-Transfer Complex as Promising Organic Light-Emitting Transistor Materials. Advanced Materials, 29, 1701346. doi:10.1002/adma.201701346
Peer reviewed

Olivier, Y. (15 September 2017). On the nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence. Paper presented at CECAM Workshop 'Multiscale modelling of organic semiconductors: from elementary processes to devices', Grenoble, France.

Chaudhari, S. R., Griffin, J. M., Broch, K., Lesage, A., Lemaur, V., Dudenko, D., Olivier, Y., Sirringhaus, H., Emsley, L., & Grey, C. P. (26 April 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. Chemical Science, 8, 3126-3136. doi:10.1039/c7sc00053g
Peer Reviewed verified by ORBi

Kozlov, O. V., Luponosov, Y. N., Solodukhin, A. N., Flament, B., Olivier, Y., Lazzaroni, R., Cornil, J., Ponomarenko, S. A., & Pshenichnikov, M. S. (26 April 2017). Ultrasfast Exciton-to-Polaron Conversion in Densely Packed Small Organic Semiconducting Molecules. Advanced Optical Materials, 7, 1700024. doi:10.1002/adom.201700024
Peer reviewed

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., Leclère, P., Fujiwara, A., Théron, D., Vuillaume, D., & Clément, N. (30 March 2017). Estimation of π-π Electronic Couplings from Current Measurements. Nano Letters, 17, 3215 - 3224.
Peer Reviewed verified by ORBi

Gobbi, M., Bonacchi, S., Lian, J., Liu, Y., Wang, X.-Y., Stoeckel, M.-A., Squillaci, M. A., D'Avino, G., Narita, A., Mullen, K., Feng, X., Olivier, Y., Beljonne, D., Samori, P., & Orgiu, E. (16 January 2017). Periodic potentials in hybrid van der Waals heterostructures formed by supramolecular lattices on graphene. Nature Communications, 8, 14767. doi:10.1038/ncomms14767
Peer reviewed

Olivier, Y. (2017). E-MRS: Organisation du Symposium M: Novel transport phenomena in organic electronic devices: heat, spin and thermoelectricity.

Olivier, Y., Moral, M., Muccioli, L., & Sancho-Garcia, J. C. (01 January 2017). Dynamic nature of excited states of donor-acceptor TADF materials: how theory can reveal structure-property relationships. Journal of Materials Chemistry C, 5, 5718-5729. doi:10.1039/C6TC05075A
Peer reviewed

Olivier, Y. (29 December 2016). How Microstructure Defines Function in Organic Conjugated Materials: Insights from Modelling. Paper presented at Solvay Workshop on Charge, Spin and Heat Transport in Organic Semiconductors, Bruxelles, Belgium.

Meneau, A. Y. B., Olivier, Y., Backlund, T., James, M., Breiby, D. W., Andreasen, J. W., & Sirringhaus, H. (23 December 2016). Temperature Dependence of Charge Localization in High-Mobility, Solution-Crystallized Small Molecule Semiconductors Studied by Charge Modulation Spectroscopy. Advanced Functional Materials, 26, 2326-2333.
Peer Reviewed verified by ORBi

Haar, S., Bruna, M., Lian, J., Tomarchio, F., Olivier, Y., Mazzaro, R., Morandi, V., Moran, J., Ferrari, A. C., Beljonne, D., Ciesielski, A., & Samori, P. (23 December 2016). Liquid-Phase Exfoliation of Graphite into Single- and Few-Layer Graphene with α‑Functionalized Alkanes. Journal of Physical Chemistry Letters, 7, 2714-2721. doi:10.1021/acs.jpclett.6b01260
Peer reviewed

Lian, J. X., Lherbier, A., Wang, L. J., Charlier, J. C., Beljonne, D., & Olivier, Y. (23 August 2016). Electronic Structure and Charge Transport in Nanostripped Graphene. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 120, 20024-20032. doi:10.1021/acs.jpcc.6b06265
Peer Reviewed verified by ORBi

D'avino, G., Olivier, Y., Muccioli, L., & Beljonne, D. (01 July 2016). Do charges delocalize over multiple molecules in fullerene derivatives? Journal of Materials Chemistry C, 4, 3747-3756. doi:10.1039/c5tc03283k
Peer reviewed

Olivier, Y. (23 May 2016). A computational perspective on the understanding of the electronic processes in organic solar cells. Paper presented at International Workshop on Organic/Hybrid Electronic and Photovoltaic, Porquerolles, France.

Olivier, Y. (14 March 2016). How Microstructure Defines Function in Organic Conjugated Materials: Insights from Modelling. Paper presented at American Physical Society (APS) March Meeting, Baltimore, United States - Maryland.

D'Avino, G., Muccioli, L., Olivier, Y., & Beljonne, D. (19 January 2016). Charge Separation and Recombination at Polymer-Fullerene Heterojunctions: Delocalization and Hybridization Effects. Journal of Physical Chemistry Letters, 7, 536-540.
Peer reviewed

Tsutsui, Y., Schweicher, G., Chattopadhay, 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., & Geerts, Y. H. (01 January 2016). Unraveling Unprecedented Charge Carrier Mobility through Structure Property Relationship of Four Isomers of Didodecylbenzothienol(3,2-b) (1) benzothiophene. Advanced Materials, 28, 7106-7114. doi:10.1002/adma.201601285
Peer reviewed

Kozlov, O. V., Luponosov, Y. N., Ponomarenko, S. A., Paraschuk, D. Y., Olivier, Y., Cornil, J., Kausch-Busies, N., & Pshenichnikov, M. S. (23 December 2015). Ultrafast electron and hole dynamics in novel conjugated star-shaped molecules. Springer Proceedings in Physics, 162, 564-567.
Peer reviewed

Olivier, Y. (30 November 2015). How Microstructure Defines Function in Organic Conjugated Materials: Insights from Modelling. Paper presented at Materials Research Society (MRS) Fall Meeting 2015, Boston, United States - Massachusetts.

Olivier, Y. (14 September 2015). Charge transport in pi-conjugated polymers : A combined classical-quantum approach to establish structure-property relationships. Paper presented at Workshop on Spin Transport and Spin Pumping, Mainz, Germany.

Tamura, H., Burghardt, I., Olivier, Y., & Beljonne, D. (04 September 2015). First-Principles Quantum Dynamics of Singlet Fission: Coherent versus Thermally Activated Mechanisms Governed by Molecular PI Stacking. Physical Review Letters, 115, 107401.
Peer Reviewed verified by ORBi

Moral, M., Garzon, A., Olivier, Y., Muccioli, L., Sancho Garcia, J. C., Granadino-Roldan, J. M., & Fernandez-Gomez, M. (22 July 2015). Bis(arylene-ethynylene)s-tetrazines: A Promising Family of n-Type Organic Semiconductors. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 119, 18945.
Peer Reviewed verified by ORBi

Olivier, Y. (07 July 2015). Charge transport in pi-conjugated polymers : A combined classical-quantum approach to establish structure-property relationships. Paper presented at 8th International Symposium On Flexible Organic Electronics, Thessaloniki, Greece.

Moral, M., Son, W. J., Sancho-Garcia, J. C., Olivier, Y., & Muccioli, L. (12 June 2015). Cost-Effective Force Field Tailored for Solid-Phase Simulations of OLED Materials. Journal of Chemical Theory and Computation, 11, 3383-3392. doi:10.1021/acs.jctc.5b00164
Peer reviewed

Olivier, Y. (19 May 2015). Charge transport in pi-conjugated polymers : A combined classical-quantum approach to establish structure-property relationships. Paper presented at Annual Meeting of the Belgian Polymer Group (BPG 2015), Houffalize, Belgium.

Olivier, Y. (07 February 2015). Charge transport in pi-conjugated polymers : A combined classical-quantum approach to establish structure-property relationships. Paper presented at 6th European Symposium on Computing pi-Conjugated Compounds, Olomouc, Czechia.

Sancho-Garcia, J. C., Pérez-Jiménez, Á. J., & Olivier, Y. (03 February 2015). Determining the cohesive energy of coronene by dispersion-corrected DFT methods: Periodic boundary conditions vs. molecular pairs. Journal of Chemical Physics, 142, 054702. doi:10.1063/1.4907268
Peer Reviewed verified by ORBi

Moral, M., Muccioli, L., Son, W. J., Olivier, Y., & Sancho-Garcia, J. C. (13 January 2015). Theoretical Rationalization of the Singlet-Triplet Gap in OLEDs Materials: Impact of Charge-Transfer Character. Journal of Chemical Theory and Computation, 11, 168-177.
Peer reviewed

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., & Bao, Z. (01 January 2015). Bulky End-Capped [1]Benzothieno[3,2-b]benzothiophenes: Reaching High Mobility Organic Semiconductors by Fine Tuning of the Crystalline Solid-State Order. Advanced Materials, 27, 3066-3072.
Peer reviewed

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., Bao, Z., & Geerts, Y. (01 January 2015). Thienoacene Dimers Based on the Thieno[3,2,b]thiophene Moiety: Synthesis, Characterization, and Electronic Properties. Journal of Materials Chemistry C, 3, 674.
Peer reviewed

Kozlov, O. V., Luponosov, Y. N., Ponomarenko, S. A., Kausch-Busies, N., Paraschuk, D. Y., Olivier, Y., Beljonne, D., Cornil, J., & Pshenichnikov, M. S. (01 January 2015). Ultrafast Charge Generation Pathways in Photovoltaic Blends Based on Novel Star-Shaped Conjugated Molecules. Advanced Energy Materials, 5, 1401657.
Peer Reviewed verified by ORBi

Szumilo, M., Gann, E., McNeil, C., Lemaur, V., Olivier, Y., Thomsen, L., Vaynzof, Y., Sommer, M., & Sirringhaus, H. (23 October 2014). Structure Influence on Charge Transport in Naphtalenediimide-Thiophene Copolymers. Chemistry of Materials, 26, 6796-6804. doi:10.1021/cm5033578
Peer Reviewed verified by ORBi

Olivier, Y. (09 October 2014). Bottom-up approaches for the modeling of optoelectronic properties of conjugated materials. Paper presented at Journée scientifique de la Société Royale de Chimie, Namur, Belgium.

Schweicher, G., Olivier, Y., Lemaur, V., & Geerts, Y. (27 May 2014). What Currently Limits Charge Carrier Mobility in Crystals of Molecular Semiconductors? Israel Journal of Chemistry, 54, 595-620. doi:10.1002/ijch.201400047
Peer Reviewed verified by ORBi

Olivier, Y., Muccioli, L., & Zannoni, C. (19 May 2014). Quinquephenyl: The Simplest Rigid-Rod-Like Nematic Liquid Crystal, or is it ? An Atomistic Simulation. Chemphyschem: A European Journal of Chemical Physics and Physical Chemistry, 15, 1345-1355.
Peer Reviewed verified by ORBi

Olivier, Y. (06 February 2014). Charge transport in pi-conjugated polymers : A combined classical-quantum approach to establish structure-property relationships. Paper presented at 5st European Symposium on Computing pi-Conjugated Compounds, Linköping, Sweden.

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. (24 January 2014). Charge Dissociation at Interfaces Between Discotic Liquid Crystals: The Surprising Role of Column Mismatch. Journal of the American Chemical Society, 136, 2911-2920.
Peer Reviewed verified by ORBi

Olivier, Y., Niedzalek, D., Lemaur, V., Pisula, W., Mullen, K., Koldemir, U., Reynolds, J., Lazzaroni, R., & Beljonne, D. (01 January 2014). High-Mobility Hole and Electron Transport Conjugated Polymers: How structure Defines Fonction. Advanced Materials, 26, 2119-2136.
Peer reviewed

Venkateshvaran, D., Nikolta, 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. (01 January 2014). Approaching Disorder-Free Transport in High Mobility Conjugated Polymers. Nature, 515, 384-388.
Peer Reviewed verified by ORBi

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. (01 January 2014). Polymorphism in Bulk and Thin Films: The Curious Case of Dithiophene-DPP (Boc)-Dithiophene. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 118, 657-669.
Peer Reviewed verified by ORBi

Wang, L., Olivier, Y., Prezhdo, O. V., & Beljonne, D. (01 January 2014). Maximizing Singlet Fission by Intermolecular Packing. Journal of Physical Chemistry Letters, 5, 3345-3353.
Peer reviewed

Olivier, Y. (27 December 2013). Molecular insights into charge transport in conjugated materials for applications in organic electronics. Paper presented at Multiscale Materials Modeling Workshop, Bologna, Italy.

Demeter, D., Jeux, V., Leriche, P., Blanchard, P., Olivier, Y., Cornil, J., Po, R., & Roncali, J. (11 October 2013). Tuning of the Photovoltaic Parameters of Molecular Donors by Covalent Bridging. Advanced Functional Materials, 23, 4854-4861.
Peer Reviewed verified by ORBi

Lemaur, V., Muccioli, L., Zannoni, C., Beljonne, D., Lazzaroni, R., Cornil, J., & Olivier, Y. (04 October 2013). On the Supramolecular Packing of High Electron Mobility Naphtalene Diimide Copolymers: The Perfect Registry of Asymmetric Branched Alkyl Side Chains. Macromolecules, 46, 8171-8178.
Peer Reviewed verified by ORBi

Olivier, Y. (11 June 2013). Molecular insights into charge transport in conjugated materials for applications in organic electronics. Paper presented at CECAM Workshop: MMSD 2013 - Organic Electronics and Transport Phenomena, Mainz, Germany.

Grisanti, L., Olivier, Y., Wang, L., Athanasopoulos, S., Cornil, J., & Beljonne, D. (31 May 2013). Triplet Exciton Diffusion in Anthracene Crystal: Role of Local and Non-local Electron-Phonon Interactions. Physical Review. B, Condensed Matter, 88, 035450.
Peer Reviewed verified by ORBi

Beljonne, D., Yagamata, H., Brédas, J. L., Spano, F. C., & Olivier, Y. (31 May 2013). Charge-Transfer Excitations Steer the Davydov Splitting and Mediate Singlet Exciton Fission in Pentacene. Physical Review Letters, 10, 226402.
Peer Reviewed verified by ORBi

Sancho-Garcia, J. C., Arago, J., Orti, E., & Olivier, Y. (23 May 2013). Obtaining the Lattice Energy of the Anthracene Crystal by Modern Yet Affordable First-Principles Methods. Journal of Chemical Physics, 138, 204304.
Peer Reviewed verified by ORBi

Petrus, M. L., Bouwer, R. K. M., Lafont, U., Murthy, D. H. K., Kist, R. J. P., Böhm, M. L., Olivier, Y., Savenije, T. J., Siebbeles, L. D. A., Greenham, N. C., & Dingemans, T. J. (07 May 2013). Conjugated Poly(azomethine)s via Simple One-Step Polycondensation Chemistry: Synthesis, thermal and Optoelectronic Properties. Polymer Chemistry, 4, 4182-4191.
Peer Reviewed verified by ORBi

Di Meo, F., Lemaur, V., Cornil, J., Lazzaroni, R., Duroux, J. L., Olivier, Y., & Trouillas, P. (18 February 2013). Free Radical Scavenging by Natural Polyphenols: Atomic versus Electron Transfer. Journal of Physical Chemistry. A, 117, 2082-2092.
Peer Reviewed verified by ORBi

Olivier, Y. (02 February 2013). Computing charge transport properties in Pi-Conjugated Materials: Insights from molecular modeling at different length scales. Paper presented at 4th European Symposium on pi-Computing Conjugated Compounds, Marseille, France.

Cornil, J., Verlaak, S., Martinelli, N., Mityashin, A., Olivier, Y., Van Regemorter, T., Muccioli, L., Zannoni, C., Castet, F., Beljonne, D., & Heremans, P. (01 January 2013). Exploring the Energy Landscape of the Charge Transport Levels in Organic Semiconductors at the Molecular Scale. Accounts of Chemical Research, 46, 434-443.
Peer Reviewed verified by ORBi

Sancho Garcia, J. C., & Olivier, Y. (21 November 2012). Reliable DF-Based Estimates of Cohesive Energies of Organic Solids: the Anthracene Crystal. Journal of Chemical Physics, 137, 194311.
Peer Reviewed verified by ORBi

Olivier, Y. (08 November 2012). Computing charge transport properties in Pi-Conjugated Materials: Insights from molecular modeling at different length scales. Paper presented at Symposium on Quantum Modeling of Electronic Processes in Organic Optoelectronic Device, Bordeaux, France.

Olivier, Y. (11 July 2012). Molecular Insights into Charge Transport in Conjugated Materials for Applications in Organic Electronics. Paper presented at International Conference on Science and Technology of Synthetic Metals (ICSM), Atlanta, United States - Georgia.

Wetzelaer, G. J. A. H., Kuik, M., Olivier, Y., Lemaur, V., Cornil, J., Fabiano, S., Loi, M. A., & Blom, P. W. M. (01 January 2012). Asymetric Electron and Hole Transport in a High-Mobility N-type Conjugated Polymer. Physical Review. B, Condensed Matter, 86, 165203.
Peer Reviewed verified by ORBi

Mityashin, A., Olivier, Y., Van Regemorter, T., Rolin, C., Verlaak, S., Martinelli, N., Beljonne, D., Cornil, J., Genoe, J., & Heremans, P. (01 January 2012). Unraveling the Mechanism of Molecular Doping in Organic Semiconductors. SHS Web of Conferences, 78, 1535-1539.
Peer reviewed

Oton, F., Pfattner, R., Pavlica, E., Olivier, Y., Moreno, E., Puigdollers, J., Bratina, G., Cornil, J., Fontrodona, X., Mas-Torrent, M., & Rovira, C. (21 October 2011). Electron-Withdrawing Substituted Tetrathiafulvalenes as Ambipolar Semiconductors. Chemistry of Materials, 23, 851-861.
Peer Reviewed verified by ORBi

Oton, F., Pfattner, R., Oxtoby, N. S., Mas-Torrent, M., Wurst, K., Fontrodona, X., Olivier, Y., Cornil, J., Veciana, J., & Rovira, C. (16 September 2011). Benzodicarbomethoxytetrathiafulvalene Derivatives as Soluble Organic Semiconductors. Journal of Organic Chemistry, 76, 154-163.
Peer Reviewed verified by ORBi

Oton, F., Pfattner, R., Pavlica, E., Olivier, Y., Bratina, G., Cornil, J., Puigdollers, J., R., A., X., F., Mas-Torrent, M., Veciana, J., & Rovira, C. (02 September 2011). Electronic and Structural Characterization of a Tetrathiafulvalene Compounds as a Potential Candidate for Ambipolar Transport Properties. CrystEngComm, 13, 6597-6600.
Peer Reviewed verified by ORBi

Ripaud, E., Olivier, Y., Leriche, P., Cornil, J., & Roncali, J. (24 June 2011). Polarisability and Internal Charge Transfer in Thiophene-Triphenylamine Hybrid PI-Conjugated Systems. Journal of Physical Chemistry B, 115, 9379-9386.
Peer Reviewed verified by ORBi

Chang, J. F., Sakanoue, T., Olivier, Y., Uemera, T., Dufourg-Madec, M. B., Yeates, S. G., Cornil, J., Takeya, J., Troisi, A., & Sirringhaus, H. (25 May 2011). Hall Effect Measurements Probing the Degree of Charge-Carrier Delocalization in Solution-Processed Crystalline Molecular Semiconductors. Physical Review Letters, 107, 066601.
Peer Reviewed verified by ORBi

Yamagata, H., Norton, J., Hontz, E., Olivier, Y., Beljonne, D., Brédas, J.-L., Silbey, R. J., & Spano, F. C. (25 April 2011). The nature of Singlet Excitons in Oligoacene Molecular Crystals. Journal of Chemical Physics, 134, 204703.
Peer Reviewed verified by ORBi

Idé, J., Méreau, R., Ducasse, L., Castet, F., Olivier, Y., Martinelli, N., Cornil, J., & Beljonne, D. (01 March 2011). Supramolecular Organization and Charge Transport Properties of Self-Assembled PI-PI Stacks of Perylene Diimide Dyes. Journal of Physical Chemistry B, 115, 5593-5603.
Peer Reviewed verified by ORBi

Olivier, Y. (2011). Third European symposium on Computing-Conjugated Compounds (CPiC)-Organisation de 3è symposium Européen de Chimie Computationnelle dédié au matériaux organiques conjugués (50 participants).

Olivier, Y. (16 December 2010). Charge transport in liquid-crystalline materials: An atomistic picture. Paper presented at PACIFICHEM 2010, Honolulu, United States.

Olivier, Y. (01 September 2010). Charge transport in organic conjugated materials: from molecular properties to charge carrier mobility. Paper presented at Superior Summer School, Mons, Belgium.

Olivier, Y. (07 July 2010). Molecular Insights on Charge Transport in Conjugated Materials for Applications in Organic Electronics. Paper presented at 12ème Rencontre des Chimistes Théoriciens Francophones, Namur, Belgium.

Sancho Garcia, J. C., Perez-Jimenez, A. J., Olivier, Y., & Cornil, J. (13 May 2010). Molecular Packing and Charge Transport Parameters in Crystalline Organic Semiconductors from First-Principles Calculations. Physical Chemistry Chemical Physics, 12, 9381-9388.
Peer Reviewed verified by ORBi

Olivier, Y. (06 May 2010). Molecular Insights on Charge Transport in Conjugated Materials for Applications in Organic Electronics. Paper presented at FUNMARCH (Functional Multiscale Architectures) workshop, Bologna, Italy.

Viani, L., Olivier, Y., Athanasopoulos, S., da Silva Filho, D. A., Hulliger, J., Brédas, J.-L., Gierschner, J., & Cornil, J. (06 April 2010). Theoretical Characterization of Charge Transport in One-Dimensional Collinear Array of Organic Conjugated Molecules. Chemphyschem: A European Journal of Chemical Physics and Physical Chemistry, 11 (5), 1062-1068. doi:10.1002/cphc.200900892
Peer Reviewed verified by ORBi

Lemaur, V., Bouzakraoui, S., Olivier, Y., Brocorens, P., Burhin, C., El Beghdadi, J., Martin-Hoyas, A., Jonas, A. M., Serban, D. A., Vlad, A., Boucher, N., Leroy, J., Sferrazza, M., Melinte, S., Sergeev, S., Geerts, Y., Lazzaroni, R., Cornil, J., & Nysten, B. (18 March 2010). Structural and Charge-Transport Properties of a Liquid-Crystalline a,w-Disubstituted Thiophene Derivative: A Joint Experimental and Theoretical Study. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 114 (10), 4617-4627. doi:10.1021/jp9070423
Peer Reviewed verified by ORBi

Denis, L., Marsal, P., Olivier, Y., Godfroid, T., Lazzaroni, R., Hecq, M., Cornil, J., & Snyders, R. (22 February 2010). Deposition of Functional Organic Thin Films by Pulsed Plasma Polymerization: A Joint Theoretical and Experimental Characterization. Plasma Processes and Polymers, 7 (2), 172-181. doi:10.1002/ppap.200900131
Peer Reviewed verified by ORBi

Olivier, Y. (26 January 2010). Charge Transport In Organic Conjugated Materials : a Molecular Picture. Paper presented at Quantum Chemistry in Belgium 9th Edition, Louvain-la-Neuve, Belgium.

Olivier, Y. (22 January 2010). Influence of a Polymeric Dielectric Layer on Charge Carrier Mobility in Field-Effect Transistors. Paper presented at 1st European Symposium on Computing pi-Conjugated Compounds, Valencia, Spain.

Martinelli, N., Olivier, Y., Muccioli, L., Minoia, A., Brocorens, P., Ruiz Delgado, M. C., Zannoni, C., Beljonne, D., Lazzaroni, R., Brédas, J. L., & Cornil, J. (2010). Charge Transport in Organic Semiconductors: A Multiscale Modelling. In Functional Supramolecular Architectures for Organic Electronics and Nanotechnology (pp. 3-37).

Olivier, Y. (30 November 2009). Un Regard Moléculaire du Transport de Charge dans les Semi-conducteurs Organiques. Paper presented at 22e Editions des Entretiens Jacques Cartier, Grenoble, France.

Olivier, Y., Muccioli, L., Lemaur, V., Geerts, Y., Zannoni, C., & Cornil, J. (29 October 2009). Theoretical Characterization of the Structural and Hole Transport Dynamics in Liquid-Crystalline Phthalocyanine Stacks. Journal of Physical Chemistry B, 113 (43), 14102-14111. doi:10.1021/jp9061169
Peer Reviewed verified by ORBi

Martinelli, N. G., Savini, M., Muccioli, L., Olivier, Y., Castet, F., Zannoni, C., Beljonne, D., & Cornil, J. (23 October 2009). An Atomistic Description of Polymer Dielectrics/Pentacene Interfaces: Influence of Electrostatic Interactions on Charge Mobility Values. Advanced Functional Materials, 19 (20), 3254-3261. doi:10.1002/adfm.200901077
Peer Reviewed verified by ORBi

Martinelli, N. G., Olivier, Y., Ruiz Delgado, M. C., Pigg, K. R., da Silva Filho, D. A., Sanchez-Carrera, R. S., Venuti, E., Della Valle, R. G., Brédas, J.-L., Beljonne, D., & Cornil, J. (14 September 2009). Influence of Intermolecular Vibrations on the Electronic Coupling and Charge-Transport Properties of Organic Semiconductors: A Molecular Dynamics and Quantum-Chemical Study of the Anthracene and Perfluoropentacene Single Crystals. Chemphyschem: A European Journal of Chemical Physics and Physical Chemistry, 10 (13), 2265-2273. doi:10.1002/cphc.200900298
Peer Reviewed verified by ORBi

Olivier, Y., Muccioli, L., Zannoni, C., & Cornil, J. (17 September 2008). Charge Transport in Conjugated Materials: From Theoretical Models to Experimental Systems. AIP Conference Proceedings, 1046, 32-35.
Peer Reviewed verified by ORBi

Olivier, Y., & Cornil, J. (01 January 2008). Etude Théorique du Transport de Charge dans les Matériaux Organiques Conjugués : De la Vision Moléculaire aux Propriétés Macroscopiques. Chimie Nouvelle, 26 (99), 27-30.
Peer reviewed

da Silva Filho, D. A., Olivier, Y., Coropceanu, V., Brédas, J.-L., & Cornil, J. (2007). Theoretical Aspects of Charge Transport in Organic Semiconductors: A Molecular Perspective. In Organic Field-Effect Transistors (pp. 1-27). CRC Press.

Cornil, D., Olivier, Y., Geskin, V. M., & Cornil, J. (01 May 2007). Depolarization Effects in Self-Assembled Monolayers: A Quantum-Chemical Insight. Advanced Functional Materials, 17 (7), 1143-1148. doi:10.1002/adfm.200601116
Peer Reviewed verified by ORBi

Olivier, Y. (27 April 2007). Charge Transport in Conjugated Materials: From Theoretical Models to Experimental Systems. Paper presented at International Conference of Computational Methods in Sciences and Engineering, Corfou, Greece.

Coropceanu, S., Cornil, J., da Silva Filho, D. A., Olivier, Y., Silbey, R. J., & Brédas, J.-L. (11 April 2007). Charge Transport in Organic Semiconductors. Chemical Reviews, 107 (4), 926-952. doi:10.1021/cr050140x
Peer Reviewed verified by ORBi

Crispin, X., Andersson, P., Robinson, N. D., Olivier, Y., Cornil, J., & Berggren, M. (2007). Photochromic Diodes. In Semiconducting Polymers (pp. 579-612). Weinheim, Unknown/unspecified: VCH.

Olivier, Y., Lemaur, V., Brédas, J.-L., & Cornil, J. (18 May 2006). Charge Hopping in Organic Semiconductors: Influence of Molecular Parameters on Macroscopic Mobilities in Model One-Dimensional Stacks. Journal of Physical Chemistry. A, 110 (19), 6356-6364. doi:10.1021/jp0571933
Peer Reviewed verified by ORBi

Olivier, Y. (04 April 2006). Charge Transport in Conjugated Materials : From the Molecular to the Macroscopic Vision. Paper presented at SPIE Photonics Europe, Strasbourg, France.

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