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

Saeed-Uz-Zaman Khan , Giacomo Londi , Xiao Liu , Michael A Fusella , Gabriele D ' Avino , et al.
Chemistry of Materials, 2019, 31 (17), pp.6808 - 6817. ⟨10.1021/acs.chemmater.9b01279⟩
Article dans une revue hal-02399119v1
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Structural and Dynamic Disorder, Not Ionic Trapping, Controls Charge Transport in Highly Doped Conducting Polymers

Ian E Jacobs , Gabriele d'Avino , Vincent Lemaur , Yue Lin , Yuxuan Huang , et al.
Journal of the American Chemical Society, 2022, 144 (7), pp.3005 - 3019. ⟨10.1021/jacs.1c10651⟩
Article dans une revue hal-03749976v1
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Relaxor ferroelectricity in the polar M2P-TCNQ charge-transfer crystal at the neutral-ionic interface

J. K H Fischer , Gabriele d'Avino , M. Masino , F. Mezzadri , P. Lunkenheimer , et al.
Physical Review B, 2021, 103 (11), pp.115104. ⟨10.1103/PhysRevB.103.115104⟩
Article dans une revue hal-03441990v1

Pentacene Crystal Growth on Silica and Layer-Dependent Step-Edge Barrier from Atomistic Simulations

Otello Maria Roscioni , Gabriele D’avino , Luca Muccioli , Claudio Zannoni
Journal of Physical Chemistry Letters, 2018, 9 (23), pp.6900-6906. ⟨10.1021/acs.jpclett.8b03063⟩
Article dans une revue hal-02022626v1
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Host dependence of the electron affinity of molecular dopants

Jing Li , Ivan Duchemin , Otello Maria Roscioni , Pascal Friederich , Marie Anderson , et al.
Materials Horizons, 2019, 6 (1), pp.107-114. ⟨10.1039/c8mh00921j⟩
Article dans une revue hal-01908090v1
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Molecularly induced order promotes charge separation through delocalized charge-transfer states at donor–acceptor heterojunctions

Xiangkun Jia , Lorenzo Soprani , Giacomo Londi , Seyed Mehrdad Hosseini , Felix Talnack , et al.
Materials Horizons, 2024, 11 (1), pp.173-183. ⟨10.1039/d3mh00526g⟩
Article dans une revue hal-04290977v1
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Are Coarse-Grained Structures as Good as Atomistic Ones for Calculating the Electronic Properties of Organic Semiconductors?

Otello Maria Roscioni , Matteo Ricci , Claudio Zannoni , Gabriele d'Avino
Journal of Physical Chemistry C, 2023, 127 (19), pp.9225-9235. ⟨10.1021/acs.jpcc.2c08862⟩
Article dans une revue hal-04290947v1
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High‐Efficiency Ion‐Exchange Doping of Conducting Polymers

Ian E Jacobs , Yue Lin , Yuxuan Huang , Xinglong Ren , Dimitrios Simatos , et al.
Advanced Materials, 2021, 34 (22), pp.2102988. ⟨10.1002/adma.202102988⟩
Article dans une revue hal-03411915v1
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Periodic potentials in hybrid van der Waals heterostructures formed by supramolecular lattices on graphene

Marco Gobbi , Sara Bonacchi , Jian Lian , Yi Liu , Xiao-Ye Wang , et al.
Nature Communications, 2017, 8 (1), pp.14767. ⟨10.1038/ncomms14767⟩
Article dans une revue hal-01910601v1
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Disentangling the multiorbital contributions of excitons by photoemission exciton tomography

Wiebke Bennecke , Andreas Windischbacher , David Schmitt , Jan Philipp Bange , Ralf Hemm , et al.
Nature Communications, 2024, 15, pp.1804. ⟨10.1038/s41467-024-45973-x⟩
Article dans une revue hal-04483439v1
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Self-organization of complete organic monolayers via sequential post-deposition annealing

Stefano Chiodini , Gabriele D’avino , Luca Muccioli , Luca Bartolini , Denis Gentili , et al.
Progress in Organic Coatings, 2020, 138, pp.105408. ⟨10.1016/j.porgcoat.2019.105408⟩
Article dans une revue hal-02399114v1
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Singlet exciton fission via an intermolecular charge transfer state in coevaporated pentacene-perfluoropentacene thin films

Vincent O Kim , Katharina Broch , Valentina Belova , Y S Chen , Alexander Gerlach , et al.
Journal of Chemical Physics, 2019, 151 (16), pp.164706. ⟨10.1063/1.5130400⟩
Article dans une revue hal-03011481v1

Chasing the “Killer” Phonon Mode for the Rational Design of Low‐Disorder, High‐Mobility Molecular Semiconductors

Guillaume Schweicher , Gabriele d'Avino , Michael Ruggiero , David Harkin , Katharina Broch , et al.
Advanced Materials, 2019, 31 (43), pp.1902407. ⟨10.1002/adma.201902407⟩
Article dans une revue hal-02322025v1
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Electronic polarization effects in core-level spectroscopy

Iskander Mukatayev , Gabriele d'Avino , Benoit Sklenard , Valerio Olevano , Jing Li
Physical Review B, 2024, 109 (12), pp.L121109. ⟨10.1103/PhysRevB.109.L121109⟩
Article dans une revue cea-04533120v1

Conflicting evidence for ferroelectricity

Gabriele D’avino , Manuel Souto , Matteo Masino , Jonas Fischer , Imma Ratera , et al.
Nature, 2017, 547 (7662), pp.E9 - E10. ⟨10.1038/nature22801⟩
Article dans une revue hal-01910603v1
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Correlated electron-hole mechanism for molecular doping in organic semiconductors

Jing Li , Gabriele d'Avino , Anton Pershin , Denis Jacquemin , Ivan Duchemin , et al.
Physical Review Materials, 2017, 1 (2), pp.025602. ⟨10.1103/PhysRevMaterials.1.025602⟩
Article dans une revue hal-01625561v1

Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead

Y. Olivier , J.-C. Sancho-Garcia , L. Muccioli , G. D’avino , D. Beljonne
Journal of Physical Chemistry Letters, 2018, 9 (20), pp.6149-6163. ⟨10.1021/acs.jpclett.8b02327⟩
Article dans une revue hal-02000657v1

Energetic fluctuations in amorphous semiconducting polymers: Impact on charge-carrier mobility

Sai Manoj Gali , Gabriele D’avino , Philippe Aurel , Guangchao Han , Yuanping Yi , et al.
Journal of Chemical Physics, 2017, 147 (13), pp.134904. ⟨10.1063/1.4996969⟩
Article dans une revue hal-01910604v1
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Universal polarization energies for defects in monolayer, surface, and bulk hexagonal boron nitride: A finite-size fragments G W approach

David Amblard , Gabriele d'Avino , Ivan Duchemin , Xavier Blase
Physical Review Materials, 2022, 6 (6), pp.064008. ⟨10.1103/PhysRevMaterials.6.064008⟩
Article dans une revue hal-03703875v1
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Comprehensive modelling study of singlet exciton diffusion in donor–acceptor dyads: when small changes in chemical structure matter

Giacomo Londi , Rishat Dilmurat , Gabriele D’avino , Vincent Lemaur , Yoann Olivier , et al.
Physical Chemistry Chemical Physics, 2019, 21 (45), pp.25023-25034. ⟨10.1039/c9cp05201a⟩
Article dans une revue hal-03011506v1
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Doping‐Induced Dielectric Catastrophe Prompts Free‐Carrier Release in Organic Semiconductors

Massimiliano Comin , Simone Fratini , Xavier Blase , Gabriele d'Avino
Advanced Materials, 2022, 34 (2), pp.2105376. ⟨10.1002/adma.202105376⟩
Article dans une revue hal-03411943v1
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Electronic Structure, Electron-Phonon Coupling, and Charge Transport in Crystalline Rubrene Under Mechanical Strain

Michael Ruggiero , Sergio Ciuchi , Simone Fratini , Gabriele D’avino
Journal of Physical Chemistry C, 2019, 123 (26), pp.15897-15907. ⟨10.1021/acs.jpcc.9b01902⟩
Article dans une revue hal-03011519v1
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Electrostatic Interactions Shape Molecular Organization and Electronic Structure of Organic Semiconductor Blends

Gabriele D’avino , Steffen Duhm , Raffaele Guido Della Valle , Georg Heimel , Martin Oehzelt , et al.
Chemistry of Materials, 2020, 32 (3), pp.1261-1271. ⟨10.1021/acs.chemmater.9b04763⟩
Article dans une revue hal-03011375v1
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Orientation dependent molecular electrostatics drives efficient charge generation in homojunction organic solar cells

Yifan Dong , Vasileios C Nikolis , Felix Talnack , Yi-Chun Chin , Johannes Benduhn , et al.
Nature Communications, 2020, 11, pp.4617. ⟨10.1038/s41467-020-18439-z⟩
Article dans une revue hal-03011267v1
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Crystal step edges can trap electrons on the surfaces of n-type organic semiconductors

Tao He , Yanfei Wu , Gabriele D’avino , Elliot Schmidt , Matthias Stolte , et al.
Nature Communications, 2018, 9, pp.2141. ⟨10.1038/s41467-018-04479-z⟩
Article dans une revue hal-01910593v1

Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

Gabriele d'Avino , Luca Muccioli , Frédéric Castet , Carl Poelking , Denis Andrienko , et al.
Journal of Physics: Condensed Matter, 2016, 28 (43), pp.Art. Nb. 433002. ⟨10.1088/0953-8984/28/43/433002⟩
Article dans une revue hal-01416586v1
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Charge transfer excitons in a donor–acceptor amphidynamic crystal: the role of dipole orientational order

Joshua Macdonald , Giacomo Piana , Massimiliano Comin , Elizabeth von Hauff , Gabriele Kociok-Köhn , et al.
Materials Horizons, 2020, 7 (11), pp.2951-2958. ⟨10.1039/d0mh01044h⟩
Article dans une revue hal-03011303v1

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

Y. Olivier , B. Yurash , L. Muccioli , G. D’avino , O. Mikhnenko , et al.
Physical Review Materials, 2017, 1 (7), pp.075602. ⟨10.1103/PhysRevMaterials.1.075602⟩
Article dans une revue hal-01910595v1

Towards first-principles prediction of valence instabilities in mixed stack charge-transfer crystals

Francesca Delchiaro , Alberto Girlando , Anna Painelli , Arkamita Bandyopadhyay , Swapan Pati , et al.
Physical Review B, 2017, 95 (15), pp.155125. ⟨10.1103/PhysRevB.95.155125⟩
Article dans une revue hal-01910600v1
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Accurate description of charged excitations in molecular solids from embedded many-body perturbation theory

Jing Li , Gabriele d'Avino , Ivan Duchemin , David Beljonne , Xavier Blase
Physical Review B, 2018, 97 (3), pp.035108. ⟨10.1103/PhysRevB.97.035108⟩
Article dans une revue hal-01715820v1