MUCCIOLI, LUCA
MUCCIOLI, LUCA
DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"
Docenti di ruolo di IIa fascia
Is DFT enough? Towards Accurate High-Throughput Computational Screening of Azobenzenes for Molecular Solar Thermal Applications
In corso di stampa Aleotti, Flavia; Soprani, Lorenzo; Rodríguez-Almeida, Lucas F.; Calcagno, Francesco; Loprete, Fabio; Rivalta, Ivan; Orlandi, Silvia; Canè, Elisabetta; Garavelli, Marco; Conti, Irene; Muccioli, Luca
Molecularly induced order promotes charge separation through delocalized charge-transfer states at donor-acceptor heterojunctions
2024 Jia, Xiangkun; Soprani, Lorenzo; Londi, Giacomo; Hosseini, Seyed Mehrdad; Talnack, Felix; Mannsfeld, Stefan; Shoaee, Safa; Neher, Dieter; Reineke, Sebastian; Muccioli, Luca; D'Avino, Gabriele; Vandewal, Koen; Beljonne, David; Spoltore, Donato
Simulating the Lyotropic Phase Behavior of a Partially Self-Complementary DNA Tetramer
2024 Cristofaro, Silvia; Querciagrossa, Lara; Soprani, Lorenzo; Fraccia, Tommaso P.; Bellini, Tommaso; Berardi, Roberto; Arcioni, Alberto; Zannoni, Claudio; Muccioli, Luca; Orlandi, Silvia
Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations
2023 Fanciullo G.; Orlandi S.; Klymchenko A.S.; Muccioli L.; Rivalta I.
Cocrystal Growth in Organic Semiconductor Thin Films: Simulation of Pentacene, Perfluoropentacene, and Their 1:1 Blend Deposited On Graphite
2023 Lorini, Emilio; Soprani, Lorenzo; Muccioli, Luca
Direct Triple Annulations: A Way to Design Large Triazastarphenes with Intertwined Hexagonal Packing
2022 Li, Qian; Moussallem, Chady; Castet, Frédéric; Muccioli, Luca; Dourges, Marie-Anne; Toupance, Thierry; Nicolas, Yohann
Highlighting the processing versatility of a silicon phthalocyanine derivative for organic thin-film transistors
2022 Cranston, Rosemary R.; King, Benjamin; Dindault, Chloé; Grant, Trevor M.; Rice, Nicole A.; Tonnelé, Claire; Muccioli, Luca; Castet, Frédéric; Swaraj, Sufal; Lessard, Benoît H.
Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: The Role of Dynamics
2022 Castet, Frédéric; Tonnelé, Claire; Muccioli, Luca; Champagne, Benoît
Temperature-Dependent Structural Phase Transition in Rubrene Single Crystals: The Missing Piece from the Charge Mobility Puzzle?
2022 van der Lee, Arie; Polentarutti, Maurizio; Roche, Gilles H.; Dautel, Olivier J.; Wantz, Guillaume; Castet, Frédéric; Muccioli, Luca
Bidimensional H-Bond Network Promotes Structural Order and Electron Transport in BPyMPMs Molecular Semiconductor
2021 De Nicola A.; Correa A.; Giunchi A.; Muccioli L.; D'Avino G.; Kido J.; Milano G.
In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye
2021 Segatta F.; Russo M.; Nascimento D.R.; Presti D.; Rigodanza F.; Nenov A.; Bonvicini A.; Arcioni A.; Mukamel S.; Maiuri M.; Muccioli L.; Govind N.; Cerullo G.; Garavelli M.
Ionic Diffusion in Spherified Calcium Alginate Gels: A Laboratory Experiment
2021 Lorenzo Soprani, Lara Querciagrossa, Silvia Cristofaro, Luca Muccioli, Silvia Orlandi, Elena Strocchi, Alberto Arcioni, Roberto Berardi
N-Type Solution-Processed Tin versus Silicon Phthalocyanines: A Comparison of Performance in Organic Thin-Film Transistors and in Organic Photovoltaics
2021 Cranston R.R.; Vebber M.C.; Rice N.A.; Tonnele C.; Castet F.; Muccioli L.; Brusso J.L.; Lessard B.H.
Peptoids as a Chiral Stationary Phase for Liquid Chromatography: Insights from Molecular Dynamics Simulations
2021 Hoyas S.; Roscioni O.M.; Tonneaux C.; Gerbaux P.; Cornil J.; Muccioli L.
Self-assembling, structure and nonlinear optical properties of fluorescent organic nanoparticles in water
2021 Lescos, Laurie; Beaujean, Pierre; Tonnelé, Claire; Aurel, Philippe; Blanchard-Desce, Mireille; Rodriguez, Vincent; de Wergifosse, Marc; Champagne, Benoît; Muccioli, Luca; Castet, Frédéric
Silicon phthalocyanines for N-type organic thin-film transistors: Development of structure−property relationships
2021 King B.; Melville O.A.; Rice N.A.; Kashani S.; Tonnele C.; Raboui H.; Swaraj S.; Grant T.M.; McAfee T.; Bender T.P.; Ade H.; Castet F.; Muccioli L.; Lessard B.H.
Thin-Film Engineering of Solution-Processable n-Type Silicon Phthalocyanines for Organic Thin-Film Transistors
2021 Cranston R.R.; Vebber M.C.; Berbigier J.F.; Rice N.A.; Tonnele C.; Comeau Z.J.; Boileau N.T.; Brusso J.L.; Shuhendler A.J.; Castet F.; Muccioli L.; Kelly T.L.; Lessard B.H.
Fate of Low-Lying Charge-Transfer Excited States in a Donor:Acceptor Blend with a Large Energy Offset
2020 Londi G.; Khan S.-U.-Z.; Muccioli L.; D'Avino G.; Rand B.P.; Beljonne D.
Orientation dependent molecular electrostatics drives efficient charge generation in homojunction organic solar cells
2020 Dong, Yifan; Nikolis, Vasileios C.; Talnack, Felix; Chin, Yi-Chun; Benduhn, Johannes; Londi, Giacomo; Kublitski, Jonas; Zheng, Xijia; Mannsfeld, Stefan C. B.; Spoltore, Donato; Muccioli, Luca; Li, Jing; Blase, Xavier; Beljonne, David; Kim, Ji-Seon; Bakulin, Artem A.; D’Avino, Gabriele; Durrant, James R.; Vandewal, Koen
Self-organization of complete organic monolayers via sequential post-deposition annealing
2020 Chiodini, Stefano; D’Avino, Gabriele; Muccioli, Luca; Bartolini, Luca; Gentili, Denis; Toffanin, Stefano; Albonetti, Cristiano
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| Is DFT enough? Towards Accurate High-Throughput Computational Screening of Azobenzenes for Molecular Solar Thermal Applications | Aleotti, Flavia; Soprani, Lorenzo; Rodríguez-Almeida, Lucas F.; Calcagno, Francesco; Loprete, Fab...io; Rivalta, Ivan; Orlandi, Silvia; Canè, Elisabetta; Garavelli, Marco; Conti, Irene; Muccioli, Luca | 9999-01-01 | MOLECULAR SYSTEMS DESIGN & ENGINEERING | - | 1.01 Articolo in rivista | D4ME00183D.pdf; SI_AZO_MOST.pdf |
| Molecularly induced order promotes charge separation through delocalized charge-transfer states at donor-acceptor heterojunctions | Jia, Xiangkun; Soprani, Lorenzo; Londi, Giacomo; Hosseini, Seyed Mehrdad; Talnack, Felix; Mannsfe...ld, Stefan; Shoaee, Safa; Neher, Dieter; Reineke, Sebastian; Muccioli, Luca; D'Avino, Gabriele; Vandewal, Koen; Beljonne, David; Spoltore, Donato | 2024-01-01 | MATERIALS HORIZONS | - | 1.01 Articolo in rivista | si_100_B4PB2P.pdf; postprint.pdf |
| Simulating the Lyotropic Phase Behavior of a Partially Self-Complementary DNA Tetramer | Cristofaro, Silvia; Querciagrossa, Lara; Soprani, Lorenzo; Fraccia, Tommaso P.; Bellini, Tommaso;... Berardi, Roberto; Arcioni, Alberto; Zannoni, Claudio; Muccioli, Luca; Orlandi, Silvia | 2024-01-01 | BIOMACROMOLECULES | - | 1.01 Articolo in rivista | si_101_GCCG.pdf; postprint_GCCG.pdf |
| Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations | Fanciullo G.; Orlandi S.; Klymchenko A.S.; Muccioli L.; Rivalta I. | 2023-01-01 | MOLECULES | - | 1.01 Articolo in rivista | 99_rhodamine.pdf |
| Cocrystal Growth in Organic Semiconductor Thin Films: Simulation of Pentacene, Perfluoropentacene, and Their 1:1 Blend Deposited On Graphite | Lorini, Emilio; Soprani, Lorenzo; Muccioli, Luca | 2023-01-01 | ADVANCED THEORY AND SIMULATIONS | - | 1.01 Articolo in rivista | 98_cocrystal.pdf; si_98_cocrystal.pdf |
| Direct Triple Annulations: A Way to Design Large Triazastarphenes with Intertwined Hexagonal Packing | Li, Qian; Moussallem, Chady; Castet, Frédéric; Muccioli, Luca; Dourges, Marie-Anne; Toupance, Thi...erry; Nicolas, Yohann | 2022-01-01 | ORGANIC LETTERS | - | 1.01 Articolo in rivista | postprint_triaza.pdf; SI_94_triaza.pdf |
| Highlighting the processing versatility of a silicon phthalocyanine derivative for organic thin-film transistors | Cranston, Rosemary R.; King, Benjamin; Dindault, Chloé; Grant, Trevor M.; Rice, Nicole A.; Tonnel...é, Claire; Muccioli, Luca; Castet, Frédéric; Swaraj, Sufal; Lessard, Benoît H. | 2022-01-01 | JOURNAL OF MATERIALS CHEMISTRY. C | - | 1.01 Articolo in rivista | postprint_magic.pdf; d1tc05238a1.pdf |
| Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: The Role of Dynamics | Castet, Frédéric; Tonnelé, Claire; Muccioli, Luca; Champagne, Benoît | 2022-01-01 | ACCOUNTS OF CHEMICAL RESEARCH | - | 1.01 Articolo in rivista | si_97_NLO_dynamics.pdf; postprint_NLO_dynamics.pdf |
| Temperature-Dependent Structural Phase Transition in Rubrene Single Crystals: The Missing Piece from the Charge Mobility Puzzle? | van der Lee, Arie; Polentarutti, Maurizio; Roche, Gilles H.; Dautel, Olivier J.; Wantz, Guillaume...; Castet, Frédéric; Muccioli, Luca | 2022-01-01 | THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - | 1.01 Articolo in rivista | - |
| Bidimensional H-Bond Network Promotes Structural Order and Electron Transport in BPyMPMs Molecular Semiconductor | De Nicola A.; Correa A.; Giunchi A.; Muccioli L.; D'Avino G.; Kido J.; Milano G. | 2021-01-01 | ADVANCED THEORY AND SIMULATIONS | - | 1.01 Articolo in rivista | si_89_BXP_hbond.pdf; postprint_BXP_hbond_merged.pdf |
| In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye | Segatta F.; Russo M.; Nascimento D.R.; Presti D.; Rigodanza F.; Nenov A.; Bonvicini A.; Arcioni A....; Mukamel S.; Maiuri M.; Muccioli L.; Govind N.; Cerullo G.; Garavelli M. | 2021-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | 92_PBI.pdf; si_92_PBI.pdf |
| Ionic Diffusion in Spherified Calcium Alginate Gels: A Laboratory Experiment | Lorenzo Soprani, Lara Querciagrossa, Silvia Cristofaro, Luca Muccioli, Silvia Orlandi, Elena Stro...cchi, Alberto Arcioni, Roberto Berardi | 2021-01-01 | - | CRC Press | 2.01 Capitolo / saggio in libro | - |
| N-Type Solution-Processed Tin versus Silicon Phthalocyanines: A Comparison of Performance in Organic Thin-Film Transistors and in Organic Photovoltaics | Cranston R.R.; Vebber M.C.; Rice N.A.; Tonnele C.; Castet F.; Muccioli L.; Brusso J.L.; Lessard B.H. | 2021-01-01 | ACS APPLIED ELECTRONIC MATERIALS | - | 1.01 Articolo in rivista | N-type solution-processed tin versus silicon phthalocyanines.pdf |
| Peptoids as a Chiral Stationary Phase for Liquid Chromatography: Insights from Molecular Dynamics Simulations | Hoyas S.; Roscioni O.M.; Tonneaux C.; Gerbaux P.; Cornil J.; Muccioli L. | 2021-01-01 | BIOMACROMOLECULES | - | 1.01 Articolo in rivista | postprint_peptoid.pdf |
| Self-assembling, structure and nonlinear optical properties of fluorescent organic nanoparticles in water | Lescos, Laurie; Beaujean, Pierre; Tonnelé, Claire; Aurel, Philippe; Blanchard-Desce, Mireille; Ro...driguez, Vincent; de Wergifosse, Marc; Champagne, Benoît; Muccioli, Luca; Castet, Frédéric | 2021-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | si_93_fluorescentNP.pdf; postprint_fluorescentNP.pdf |
| Silicon phthalocyanines for N-type organic thin-film transistors: Development of structure−property relationships | King B.; Melville O.A.; Rice N.A.; Kashani S.; Tonnele C.; Raboui H.; Swaraj S.; Grant T.M.; McAf...ee T.; Bender T.P.; Ade H.; Castet F.; Muccioli L.; Lessard B.H. | 2021-01-01 | ACS APPLIED ELECTRONIC MATERIALS | - | 1.01 Articolo in rivista | - |
| Thin-Film Engineering of Solution-Processable n-Type Silicon Phthalocyanines for Organic Thin-Film Transistors | Cranston R.R.; Vebber M.C.; Berbigier J.F.; Rice N.A.; Tonnele C.; Comeau Z.J.; Boileau N.T.; Bru...sso J.L.; Shuhendler A.J.; Castet F.; Muccioli L.; Kelly T.L.; Lessard B.H. | 2021-01-01 | ACS APPLIED MATERIALS & INTERFACES | - | 1.01 Articolo in rivista | - |
| Fate of Low-Lying Charge-Transfer Excited States in a Donor:Acceptor Blend with a Large Energy Offset | Londi G.; Khan S.-U.-Z.; Muccioli L.; D'Avino G.; Rand B.P.; Beljonne D. | 2020-01-01 | THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - | 1.01 Articolo in rivista | - |
| Orientation dependent molecular electrostatics drives efficient charge generation in homojunction organic solar cells | Dong, Yifan; Nikolis, Vasileios C.; Talnack, Felix; Chin, Yi-Chun; Benduhn, Johannes; Londi, Giac...omo; Kublitski, Jonas; Zheng, Xijia; Mannsfeld, Stefan C. B.; Spoltore, Donato; Muccioli, Luca; Li, Jing; Blase, Xavier; Beljonne, David; Kim, Ji-Seon; Bakulin, Artem A.; D’Avino, Gabriele; Durrant, James R.; Vandewal, Koen | 2020-01-01 | NATURE COMMUNICATIONS | - | 1.01 Articolo in rivista | s41467-020-18439-z.pdf; 41467_2020_18439_MOESM1_ESM.pdf |
| Self-organization of complete organic monolayers via sequential post-deposition annealing | Chiodini, Stefano; D’Avino, Gabriele; Muccioli, Luca; Bartolini, Luca; Gentili, Denis; Toffanin, ...Stefano; Albonetti, Cristiano | 2020-01-01 | PROGRESS IN ORGANIC COATINGS | - | 1.01 Articolo in rivista | postprint_T6annealing.pdf |