Garbay, G.; Muccioli, L.; Pavlopoulou, E.; Hanifa, A.; Hadziioannou, G.; Brochon, C.; Cloutet, E., Carbazole-based π-conjugated polyazomethines: Effects of catenation and comonomer insertion on optoelectronic features, «POLYMER», 2017, 119, pp. 274 - 284 [articolo]
Olivier, Yoann; Moral, Mónica; Muccioli, Luca; Sancho-García, Juan-Carlos, Dynamic nature of excited states of donor–acceptor TADF materials for OLEDs: how theory can reveal structure–property relationships, «JOURNAL OF MATERIALS CHEMISTRY. C», 2017, 5, pp. 5718 - 5729 [articolo]Open Access
Gali, Sai Manoj; D’Avino, Gabriele; Aurel, Philippe; Han, Guangchao; Yi, Yuanping; Papadopoulos, Theodoros A.; Coropceanu, Veaceslav; Brédas, Jean-Luc; Hadziioannou, Georges; Zannoni, Claudio; Muccioli, Luca, Energetic fluctuations in amorphous semiconducting polymers: Impact on charge-carrier mobility, «THE JOURNAL OF CHEMICAL PHYSICS», 2017, 147, Article number: 134904, pp. 1 - 10 [articolo]Open Access
Palermo, MATTIA FELICE; Bazzanini, Federico; Muccioli, Luca; Zannoni, Claudio, Is the alignment of nematics on a polymer slab always along the rubbing direction? A molecular dynamics study, «LIQUID CRYSTALS», 2017, 44, pp. 1764 - 1774 [articolo]
Álvarez-Asencio, Rubén; Moreno-Ramírez, Jorge S.; Pimentel, Carlos; Casado, Santiago; Matta, Micaela; Gierschner, Johannes; Muccioli, Luca; Yoon, Seong-Jun; Varghese, Shinto; Park, Soo Young; Gnecco, Enrico; Pina, Carlos M., Molecular-scale shear response of the organic semiconductor β-DBDCS (100) surface, «PHYSICAL REVIEW. B», 2017, 96, pp. 115422 - 115422 [articolo]
Méndez-Ardoy, Alejandro; Markandeya, Nagula; Li, Xuesong; Tsai, Yu-Tang; Pecastaings, Gilles; Buffeteau, Thierry; Maurizot, Victor; Muccioli, Luca; Castet, Frédéric; Huc, Ivan; Bassani, Dario M., Multi-dimensional charge transport in supramolecular helical foldamer assemblies, «CHEMICAL SCIENCE», 2017, 8, pp. 7251 - 7257 [articolo]
Olivier, Y.; Yurash, B.; Muccioli, L.; D’Avino, G.; Mikhnenko, O.; Sancho-García, J. C.; Adachi, C.; Nguyen, T. -. Q.; Beljonne, D., Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence, «PHYSICAL REVIEW MATERIALS», 2017, 1, Article number: 075602, pp. 1 - 6 [articolo]Open Access
Roscioni, Otello Maria; Muccioli, Luca; Zannoni, Claudio, Predicting the Conditions for Homeotropic Anchoring of Liquid Crystals at a Soft Surface. 4-n-Pentyl-4′-cyanobiphenyl on Alkylsilane Self-Assembled Monolayers, «ACS APPLIED MATERIALS & INTERFACES», 2017, 9, pp. 11993 - 12002 [articolo]
Davino, Gabriele; Muccioli, Luca; Olivier, Yoann; Beljonne, David, Charge Separation and Recombination at Polymer-Fullerene Heterojunctions: Delocalization and Hybridization Effects, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2016, 7, pp. 536 - 540 [articolo]Open Access
D'Avino, G.; Olivier, Y.; Muccioli, L; Beljonne, D., Do charges delocalize over multiple molecules in fullerene derivatives?, «JOURNAL OF MATERIALS CHEMISTRY. C», 2016, 4, pp. 3747 - 3756 [articolo]
D'Avino, Gabriele; Muccioli, Luca; Castet, Frédéric; Poelking, Carl; Andrienko, Denis; Soos, Zoltán G.; Cornil, Jérôme; Beljonne, David, Electrostatic phenomena in organic semiconductors: Fundamentals and implications for photovoltaics, «JOURNAL OF PHYSICS. CONDENSED MATTER», 2016, 28, Article number: 433002, pp. 1 - 21 [articolo]Open Access
Roscioni, OTELLO MARIA; Muccioli, Luca; Alexander, Mityashin; Jerome, Cornil; Zannoni, Claudio, Structural Characterization of Alkylsilane and Fluoroalkylsilane Self-Assembled Monolayers on SiO2 by Molecular Dynamics Simulations, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2016, 120, pp. 14652 - 14662 [articolo]
Moral, Mónica; Garzón, Andrés; Olivier, Yoann; Muccioli, Luca; Sancho-García, Juan Carlos; Granadino-Roldán, José M.; Fernández-Gómez, Manuel, Bis(arylene-ethynylene)-s-tetrazines: A Promising Family of n-Type Organic Semiconductors?, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2015, 119, pp. 18945 - 18955 [articolo]
Weber, Adrian C. J.; Burnell, E. Elliott; Meerts, W. Leo; de Lange, Cornelis A.; Dong, Ronald Y.; Muccioli, Luca; Pizzirusso, Antonio; Zannoni, Claudio, Communication: Molecular dynamics and H-1 NMR of n-hexane in liquid crystals, «THE JOURNAL OF CHEMICAL PHYSICS», 2015, 143, Article number: 011103, pp. 011103-1 - 011103-5 [articolo]
Moral, M; Son, W.-J.; Sancho-García, J.C.; Olivier, Y.; Muccioli, L., Cost-Effective Force Field Tailored for Solid-Phase Simulations of OLED Materials, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2015, 11, pp. 3383 - 3392 [articolo]
