George Volonakis

Publications

Communication dans un congrès (42)

Anharmonic Electron-Phonon Coupling in Materials: From Equilibrium to the Ultrafast Regime Marios Zacharias,Jacky Even,Feliciano Giustino,Claudine Katan,Fabio Carusoet al. APS spring meeting 2026 Denver, Mar 2026, Denver, United States Communication dans un congrès hal-05601421v1
New Empirical models for excitonic polarons induced by multiple polar modes and abinitio approach to optoelectronic properties in locally disordered 3D halide perovskites Jacky Even,Simon Thébaud,Aseem Rajan Kshirsagar,Zeli Xu,George Volonakiset al. APS spring meeting 2026 Denver, Mar 2026, Denver, United States Communication dans un congrès hal-05601431v1
Towards Accurate Predictions of Optoelectronic and Transport Properties of Metal Halide Perovskites: The Role of Intrinsic Disorder Marios Zacharias,George Volonakis,Laurent Pedesseau,Claudine Katan,Feliciano Giustinoet al. EMRS Spring 2025, May 2025, Strasbourg, France Communication dans un congrès hal-05219414v1
DFTB Parametrization for Iodide and Bromide Perovskites and Heterostructures Junke Jiang,Tammo van der Heide,Simon Thébaud,Carlos Raúl Lien-Medrano,Arnaud Fiheyet al. EMRS Spring 2025, May 2025, Strasbourg, France Communication dans un congrès hal-05219391v1
Vibrational structure and electron-phonon interactions in halide perovskite CsPbBr3 Simon Thébaud,Xu Zeli,Antoine Létoublon,Olivier Durand,Marios Zachariaset al. MRS Spring meeting 2025, Apr 2025, Seattle, United States Communication dans un congrès hal-05224005v1
Semi-Empirical DFTB Parameters for Bromide Perovskites: Electronic Structure Predictions in 3D, 2D, and Heterostructures Junke Jiang,Tammo van der Heide,Simon Thébaud,Carlos Raúl Lien-Medrano,Arnaud Fiheyet al. Journées Pérovskites Halogénées (JPH 2025), Mar 2025, ERQUY, France Communication dans un congrès hal-05166016v1
Semi-Empirical DFTB Parameters for Iodide and Bromide Perovskites: From 3D and 2D Materials to Heterostructures Junke Jiang,Tammo van der Heide,Simon Thébaud,Carlos Raúl Lien-Medrano,Arnaud Fiheyet al. EMRS Spring 2025, May 2025, Strasbourg, France Communication dans un congrès hal-05219381v1
High-Throughput Unied Framework for Local Disorder, Anharmonicity, and Electron-Phonon Coupling Marios Zacharias,George Volonakis,Mikaël Kepenekian,Claudine Katan,Feliciano Giustinoet al. EMRS Spring 2025, May 2025, Strasbourg, France Communication dans un congrès hal-05219411v1
Flexible and Efficient Semi-Empirical DFTB methods for Electronic Structure Prediction of 3D, 2D Perovskites and Heterostructures Junke Jiang,Tammo van der Heide,Simon Thébaud,Carlos Lien-Medrano,Marios Zachariaset al. journées pérovskites halogénées JPH 2024, Apr 2024, Aix les Bains, France Communication dans un congrès hal-04972691v1
Materials design of halide perovskites and beyond: Opto-electronic properties, and charge carrier mobilities from first principles. George Volonakis International Conference on Hybrid and Organic Photovoltaics, May 2024, Valence, Spain. ⟨10.29363/nanoge.hopv.2024.154⟩ Communication dans un congrès hal-04614263v1
Flexible and Efficient Semi-Empirical DFTB methods for Electronic Structure Prediction of 3D, 2D Perovskites and Heterostructures Junke Jiang,Tammo van der Heide,Simon Thébaud,Carlos R Lien-Medrano,Marios Zachariaset al. MATSUS Spring 2024 Conference, Mar 2024, Barcelona, Spain. ⟨10.29363/nanoge.matsus.2024.144⟩ Communication dans un congrès hal-04505858v1
Substitutional Engineering of Halide Double Salts: Material Design of Ag-In-I Ternary Compounds Christos Tyrpenou,G Krishnamurthy Grandhi,Mikaël Kepenekian,Paola Vivo,George Volonakis MATSUS Spring 2025 Conference, Mar 2025, Sevilla, Spain. ⟨10.29363/nanoge.matsusspring.2025.114⟩ Communication dans un congrès hal-05025073v1
Intrinsic Limits of Charge Carrier Mobilities in Halide Perovskites—From 3D to Layered Materials Mikaël Kepenekian,Bruno Cucco,Joshua Leveillee,Viet-Anh Ha,Jacky Evenet al. MRS Fall 2024, Dec 2024, Boston, United States Communication dans un congrès hal-04972711v1
Intrinsic Limits of Charge Carrier Mobilities in Halide Perovskites: From 3D to Layered Materials Bruno Cucco,Joshua Leveillee,Jacky Even,Mikaël Kepenekian,Feliciano Giustinoet al. MRS spring 2024, Apr 2024, Seattle, United States Communication dans un congrès hal-04972708v1
Extending tight-binding models from bulk to layered halide perovskites Simon Thébaud,Junke Jiang,Baker Shalak,Bruno Cucco,Claudio Quartiet al. MATSUS Spring 2024 Conference, Mar 2024, Barcelona, Spain. ⟨10.29363/nanoge.matsus.2024.084⟩ Communication dans un congrès hal-04505864v1
Computational materials design for the next generation of energy perovskite-related materials. George Volonakis MATSUS Spring 2025 Conference, Mar 2025, Sevilla, Spain. ⟨10.29363/nanoge.matsusspring.2025.505⟩ Communication dans un congrès hal-05024664v1
Ab-Initio Computational Design of Halide Perovskites and Related Materials George Volonakis Emerging Light Emitting Materials 2024, Oct 2024, La Canea, Greece. ⟨10.29363/nanoge.emlem.2024.045⟩ Communication dans un congrès hal-04772660v1
Local Disorder and Electron-Anharmonic Phonon Coupling in Metal Halide Perovskites Marios Zacharias,Jacky Even,George Volonakis,Feliciano Giustino MATSUS Spring 2024 Conference, Mar 2024, Barcelona, Spain. ⟨10.29363/nanoge.matsus.2024.055⟩ Communication dans un congrès hal-04505844v1
Polymorphism in Halide Perovskites: Bridging the Gap Between Theory and Experiment Marios Zacharias,George Volonakis,Mikaël Kepenekian,Claudine Katan,Jacky Even Emerging Light Emitting Materials 2024, Oct 2024, La Canea, Greece. ⟨10.29363/nanoge.emlem.2024.025⟩ Communication dans un congrès hal-04766867v1
Tight-binding modelling of layered halide perovskites Simon Thébaud,Bruno Cucco,Claudio Quarti,George Volonakis,Laurent Pedesseauet al. 8è Journées Pérovskites Halogénées 2023 (JPH 2023), May 2023, Biarritz, France Communication dans un congrès hal-04126285v1
Effect of disorder and anharmonicity in the phonon dynamics and electronphononcoupling of halide perovskites Marios Zacharias,George Volonakis,Feliciano Giustino,Jacky Even EMRS Fall Meeting 2023, Sep 2023, Varsovie, Poland Communication dans un congrès hal-04227110v1
Anharmonic electron-phonon coupling in layered and bulk polymorphous perovskites Marios Zacharias,Jacky Even,George Volonakis,Feliciano Giustino International Conference on Emerging Light Emitting Materials 2023, Nov 2023, Peyia, Cyprus. ⟨10.29363/nanoge.emlem.2023.008⟩ Communication dans un congrès hal-04327528v1
Halide perovskites beyond methylammonium lead iodide for more than optoelectronics Bruno Cucco,Claudine Katan,George Volonakis,Jacky Even,Mikaël Kepenekian Materials Research Society Spring Meeting 2023 (MRS 2023 Spring Meeting), Apr 2023, San Francisco, United States Communication dans un congrès hal-04131096v1
Photovoltaic and excitonic properties of novel perovskite-like materials. George Volonakis,Bruno Cucco,Claudine Katan,Mikaël Kepenekian,Laurent Pedesseauet al. emrs spring meeting 2023, May 2023, strasbourg, France Communication dans un congrès hal-04190475v1
Effect of anharmonicity and polymorphism on electron-phonon coupling in halide perovskites Marios Zacharias,George Volonakis,Feliciano Giustino,Jacky Even emrs spring meeting 2023, May 2023, strasbourg, France Communication dans un congrès hal-04190465v1
Interlayer Ordered Mixed-Spacer 2D Halide Perovskites Xiaotong Li,Hao Dong,George Volonakis,Constantinos Stoumpos,Jacky Evenet al. MRS Fall 2023, Nov 2023, Boston, United States Communication dans un congrès hal-04326531v1
Symmetry-informed tight-binding modeling of disordered hybrid perovskites Simon Thébaud,Claudio Quarti,George Volonakis,Mikaël Kepenekian,Laurent Pedesseauet al. American Physical Society March Meeting 2023 (APS March Meeting 2023), Mar 2023, Las Vegas, United States Communication dans un congrès hal-04126245v1
Structural and Optoelectronic Properties of 2D Multilayered Perovskites Jacky Even,Mikaël Kepenekian,George Volonakis,Laurent Pedesseau,Simon Thébaudet al. MRS Fall 2023, Nov 2023, Boston, United States Communication dans un congrès hal-04326517v1
Recent results on metal halide perovskites and their interfaces* Boubacar Traore,Claudio Quarti,Junke Jiang,Laurent Pedesseau,George Volonakiset al. APS March Meeting 2022, Mar 2022, Chicago, United States Communication dans un congrès hal-03609687v1
Tuning the properties of multilayered perovskites and their interfaces for optoelectronic applications Jacky Even,Boubacar Traore,Claudio Quarti,Junke Jiang,Laurent Pedesseauet al. OPTIQUE Nice 2022, Jul 2022, Nice, France Communication dans un congrès hal-03858234v1
Excitonic Properties of Vacancy Ordered Halide Double Perovskites: From Wannier to Frenkel excitons Bruno Cucco,Claudine Katan,Jacky Even,Mikaël Kepenekian,George Volonakis 12è Journées Nationales du PhotoVoltaïque (JNPV 2022), Nov 2022, dourdan, France Communication dans un congrès hal-03949749v1
Influence of surface termination on the structural and electronic properties at the Pb-free perovskite/charge transport material interfaces Pingping Jiang,Boubacar Traore,Mikaël Kepenekian,George Volonakis,Claudine Katanet al. International Conference on Emerging Light Emitting Materials (EMLEM 2022), Oct 2022, Limassol, Cyprus Communication dans un congrès hal-03949220v1
Surfaces/interfaces in atomic-scale semiconductor devices: structural and electronic properties of Pb-free perovskites and charge transport materials. Laurent Pedesseau,Pingping Jiang,Boubacar Traore,Mikaël Kepenekian,Claudine Katanet al. Sustainable Metal-halide perovskites for photovoltaics, optoelectronics and photonics Conference (Sus-MHP), Dec 2022, Valencia, Spain. ⟨10.29363/nanoge.sus-mhp.2022.002⟩ Communication dans un congrès hal-03949767v1
From bulk, to surface and interface properties of unusual semiconductors at the atomic scale to promising devices Laurent Pedesseau,Pingping Jiang,Boubacar Traore,Mikaël Kepenekian,Claudine Katanet al. NANOTEXNOLOGY 2022 / 15th International Symposium on Flexible Organic Electronics (ISFOE22), Jul 2022, Thessaloniki, Greece Communication dans un congrès hal-03790823v1
Unveiling surface and interface properties of Pb-free perovskites from atomic scale simulation for thin-film device applications Laurent Pedesseau,Pingping Jiang,Boubacar Traore,Mikaël Kepenekian,Claudine Katanet al. 16th International Conference on Nanostructured Materials (NANO 2022), Jun 2022, Sevilla, Spain Communication dans un congrès hal-03790792v1
Atomistic studies of surface and interface properties in lead-free halide perovskite semiconductor devices Laurent Pedesseau,Pingping Jiang,Boubacar Traore,Mikaël Kepenekian,Claudine Katanet al. European Materials Research Society - Fall Meeting 2022 (E-MRS 2022 Fall Meeting), Sep 2022, Warsaw, Poland Communication dans un congrès hal-03788870v1
Interplay between structural and electronic properties at Pb-free perovskite/electron transport material interfaces Pingping Jiang,Boubacar Traoré,Mikael Kepenekian,George Volonakis,Claudine Katanet al. 11è Journées Nationales du PhotoVoltaïque (JNPV 2021), Nov 2021, Dourdan, France Communication dans un congrès hal-03500333v1
Electronic Structure and Stability of Cs2TiX6 and Cs2ZrX6 (X = Br, I) Vacancy Ordered Double Perovskites Bruno Cucco,Gaëlle Bouder,Laurent Pedesseau,Claudine Katan,Jacky Evenet al. nanoGe Fall Meeting 2021, Oct 2021, Online, France. ⟨10.29363/nanoge.nfm.2021.196⟩ Communication dans un congrès hal-03500075v1
Rudorfittes for solar-cell applications: Insights on their structures, electronic and optical properties from rst-principles Bruno Cucco,Laurent Pedesseau,Jacky Even,Mikael Kepenekian,George Volonakis European Materials Research Society - Spring Meeting 2021 (E-MRS 2021 Spring Meeting), May 2021, Strasbourg, France Communication dans un congrès hal-03254267v1
Influence of surface termination on electronic configurations at FASnI3/C60 interfaces Pingping Jiang,Boubacar Traore,Mikaël Kepenekian,George Volonakis,Claudine Katanet al. nanoGe Fall Meeting 2021, Oct 2021, Online, France. ⟨10.29363/nanoge.nfm.2021.070⟩ Communication dans un congrès hal-03500082v1
Towards lead-free perovskite device architectures: interface simulations of tin-based heterostructures Laurent Pedesseau,Pingping Jiang,Boubacar Traoré,Mikael Kepenekian,George Volonakiset al. Materials Research Society Fall Meeting 2021 (MRS 2021 Fall Meeting), Dec 2021, Boston, United States Communication dans un congrès hal-03469859v1
Physics of 2D perovskites Jacky Even,Jean-Christophe Blancon,Siraj Sidhik,Wenbin Li,Hao Zhanget al. Workshop on Semiconductors, perovskites and 2D materials, Dec 2021, Paris, France Communication dans un congrès hal-03500052v1

Article dans une revue (31)

Computational Screening and Discovery of Silver–Indium Halide Double Salts Christos Tyrpenou,Gopal Krishnamurthy Grandhi,Paola Vivo,Mikaël Kepenekian,George Volonakis Solar RRL, 2026, 10 (1), pp.e202500941. ⟨10.1002/solr.202500941⟩ Article dans une revue hal-05494477v1
Roadmap for electronic structure, anharmonicity, and electron-phonon calculations in locally disordered inorganic and hybrid halide perovskites Marios Zacharias,George Volonakis,Laurent Pedesseau,Claudine Katan,Feliciano Giustinoet al. Physical Review B, 2026, 113 (8), pp.085118. ⟨10.1103/67c2-yzjw⟩ Article dans une revue hal-05528302v1
Electron-phonon couplings in polymorphous crystals Marios Zacharias,George Volonakis,Laurent Pedesseau,Claudine Katan,Feliciano Giustinoet al. Physical Review B, 2026, 113 (8), pp.L081104. ⟨10.1103/n52n-g9nr⟩ Article dans une revue hal-05528292v1
Exciton diffusion beyond 2 μm enabled by maximum symmetry in two-dimensional perovskites Jin Hou,Jared Fletcher,Siedah Hall,Hao Zhang,Marios Zachariaset al. Nature Synthesis, 2026, ⟨10.1038/s44160-026-01041-4⟩ Article dans une revue hal-05581554v1
A 2D Double Perovskite Based on the Chiral Cystaminium Cation Exhibiting Multiple Switches in Quadratic Nonlinear Optical Response Maria Maniadi,Nicolas Mercier,Alexandre Abhervé,Denis Gindre,Elodie Tailleuret al. Journal of the American Chemical Society, 2025, 147 (44), pp.40708-40718. ⟨10.1021/jacs.5c13444⟩ Article dans une revue hal-05346674v1
Three-Dimensional to Layered Halide Perovskites: A Parameter-Free Hybrid Functional Method for Predicting Electronic Band Gaps Ibrahim Buba Garba,Lorenzo Trombini,Claudine Katan,Jacky Even,Marios Zachariaset al. ACS Materials Letters, 2025, 7 (5), pp.1922-1929. ⟨10.1021/acsmaterialslett.5c00158⟩ Article dans une revue hal-05049725v1
Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures Junke Jiang,Tammo van der Heide,Simon Thébaud,Carlos Raúl Lien-Medrano,Arnaud Fiheyet al. Physical Review Materials, 2025, 9 (2), pp.023803. ⟨10.1103/PhysRevMaterials.9.023803⟩ Article dans une revue hal-04963542v1
Design Principles for Narrow-Gap Hybrid Semiconductors: Insights from Viologen-Tin and Viologen-Lead Iodides Robert P Reynolds,Jessica H Persaud,George Volonakis,Andrew J Torma,Patricia E Mezaet al. Journal of the American Chemical Society, 2025, 147 (28), pp.24573 - 24593. ⟨10.1021/jacs.5c05202⟩ Article dans une revue hal-05167303v1
A Crystalline 2D Fullerene‐Based Metal Halide Semiconductor for Efficient and Stable Ideal‐bandgap Perovskite Solar Cells Weicheng Shen,Ali Azmy,Guang Li,Anamika Mishra,Zois Syrgianniset al. Advanced Energy Materials, 2024, 14 (23), pp.2400582. ⟨10.1002/aenm.202400582⟩ Article dans une revue hal-04564542v1
Nonaqueous Synthesis of Low-Vacancy Chromium Hexacyanochromate Maximilian Schart,Ramón Torres-Cavanillas,Samuel Wheeler,Kevin Hurlbutt,Pascal Manuelet al. Inorganic Chemistry, 2024, 63 (48), pp.22856-22864. ⟨10.1021/acs.inorgchem.4c03856⟩ Article dans une revue hal-04832834v1
Polaronic Mass Enhancement and Polaronic Excitons in Metal Halide Perovskites Michał Baranowski,Andrzej Nowok,Krzysztof Galkowski,Mateusz Dyksik,Alessandro Surrenteet al. ACS Energy Letters, 2024, 9 (6), pp.2696-2702. ⟨10.1021/acsenergylett.4c00905⟩ Article dans une revue hal-04596394v1
Perovskite‐Inspired Cs₂AgBi₂I₉: A Promising Photovoltaic Absorber for Diverse Indoor Environments Mokurala Krishnaiah,Kuntal Singh,Sanchi Monga,Akash Tripathi,Sougata Karmakaret al. Advanced Energy Materials, 2024, pp.2404547. ⟨10.1002/aenm.202404547⟩ Article dans une revue hal-04867384v1
Intrinsic Limits of Charge Carrier Mobilities in Layered Halide Perovskites Bruno Cucco,Joshua Leveillee,Viet-Anh Ha,Jacky Even,Mikaël Kepenekianet al. PRX Energy, 2024, 3 (2), pp.023012. ⟨10.1103/PRXEnergy.3.023012⟩ Article dans une revue hal-04629904v1
Anharmonic electron-phonon coupling in ultrasoft and locally disordered perovskites Marios Zacharias,George Volonakis,Feliciano Giustino,Jacky Even npj Computational Materials, 2023, 9 (1), pp.153. ⟨10.1038/s41524-023-01089-2⟩ Article dans une revue hal-04186764v2
Fine Structure of Excitons in Vacancy-Ordered Halide Double Perovskites Bruno Cucco,Claudine Katan,Jacky Even,Mikaël Kepenekian,George Volonakis ACS Materials Letters, 2023, 5 (1), pp.52-59. ⟨10.1021/acsmaterialslett.2c01010⟩ Article dans une revue hal-03879741v1
Chemical Behavior and Local Structure of the Ruddlesden−Popper and Dion−Jacobson Alloyed Pb/Sn Bromide 2D Perovskites Ping Fu,Michael Quintero,Eugenia Vasileiadou,Parth Raval,Claire Weltonet al. Journal of the American Chemical Society, 2023, 145 (29), pp.15997-16014. ⟨10.1021/jacs.3c03997⟩ Article dans une revue hal-04162510v1
Surface and Optical Properties of Phase-Pure Silver Iodobismuthate Nanocrystals Anastasia Matuhina,G Krishnamurthy Grandhi,Ashanti Bergonzoni,Laurent Pedesseau,Roberto Grisorioet al. Nanoscale, 2023, 15 (36), pp.14764-14773. ⟨10.1039/D3NR02742B⟩ Article dans une revue hal-04189718v1
Anharmonic lattice dynamics via the special displacement method Marios Zacharias,George Volonakis,Feliciano Giustino,Jacky Even Physical Review B, 2023, 108 (3), pp.035155. ⟨10.1103/PhysRevB.108.035155⟩ Article dans une revue hal-04186818v1
Novel 3D Cubic Topology in Hybrid Lead Halides with a Symmetric Aromatic Triammonium Exhibiting Water Stability Eugenia Vasileiadou,Imra Tajuddin,Michael de Siena,Vladislav Klepov,Mikaël Kepenekianet al. Chemistry of Materials, 2023, 35 (14), pp.5267-5280. ⟨10.1021/acs.chemmater.3c00164⟩ Article dans une revue hal-04172600v1
Origin of the High Specific Capacity in Sodium Manganese Hexacyanomanganate br Kevin Hurlbutt,Feliciano Giustino,George Volonakis,Mauro Pasta Chemistry of Materials, 2022, 34 (10), pp.4336-4343. ⟨10.1021/acs.chemmater.1c04167⟩ Article dans une revue hal-03715047v1
Short Aromatic Diammonium Ions Modulate Distortions in 2D Lead Bromide Perovskites for Tunable White-Light Emission Ping Fu,Michael Quintero,Claire Welton,Xiaotong Li,Bruno Cuccoet al. Chemistry of Materials, 2022, 34 (21), pp.9685-9698. ⟨10.1021/acs.chemmater.2c02471⟩ Article dans une revue hal-03840368v1
Pb-free halide perovskites for solar cells, light-emitting diodes, and photocatalysts Pingping Jiang,Debdipto Acharya,George Volonakis,Marios Zacharias,Mikaël Kepenekianet al. APL Materials, 2022, 10 (6), pp.060902. ⟨10.1063/5.0095515⟩ Article dans une revue hal-03694654v1
Silver‐Bismuth Halide Double Salts for Lead‐free Photovoltaics: Insights From Symmetry‐Based Modeling Bruno Cucco,Laurent Pedesseau,Claudine Katan,Jacky Even,Mikaël Kepenekianet al. Solar RRL, 2022, 6 (12), pp.2200718. ⟨10.1002/solr.202200718⟩ Article dans une revue hal-03829376v1
Ordered Mixed-Spacer 2D Bromide Perovskites and the Dual Role of 1,2,4-Triazolium Cation Xiaotong Li,Hao Dong,George Volonakis,Constantinos Stoumpos,Jacky Evenet al. Chemistry of Materials, 2022, 34 (14), pp.6541-6552. ⟨10.1021/acs.chemmater.2c01432⟩ Article dans une revue hal-03726767v1
Ruddlesden-Popper-Phase Hybrid Halide Perovskite/Small-Molecule Organic Blend Memory Transistors Murali Gedda,Emre Yengel,Hendrik Faber,Fabian Paulus,Joshua A Kresset al. Advanced Materials, 2021, 33 (7), pp.2003137. ⟨10.1002/adma.202003137⟩ Article dans une revue hal-03102201v1
Crystallographic, Optical, and Electronic Properties of the Cs2AgBi1-xInxBr6 Double Perovskite: Understanding the Fundamental Photovoltaic Efficiency Challenges Laura Schade,Suhas Mahesh,George Volonakis,Marios Zacharias,Bernard Wengeret al. ACS Energy Letters, 2021, 6 (3), pp.1073-1081. ⟨10.1021/acsenergylett.0c02524⟩ Article dans une revue hal-03217028v1
Quasiparticle Band Structure and Phonon-Induced Band Gap Renormalization of the Lead-Free Halide Double Perovskite Cs2InAgCl6 Viet-Anh Ha,George Volonakis,Hyungjun Lee,Marios Zacharias,Feliciano Giustino Journal of Physical Chemistry C, 2021, 125 (39), pp.21689-21700. ⟨10.1021/acs.jpcc.1c06542⟩ Article dans une revue hal-03413902v1
Electronic Structure and Electron-Transport Properties of Three Metal Hexacyanoferrates Kevin Hurlbutt,Feliciano Giustino,Mauro Pasta,George Volonakis Chemistry of Materials, 2021, 33 (17), pp.7067-7074. ⟨10.1021/acs.chemmater.1c02183⟩ Article dans une revue hal-03414059v1
Electronic structure and stability of Cs2TiX6 and Cs2ZrX6 (X = Br, I) vacancy ordered double perovskites Bruno Cucco,Gaëlle Bouder,Laurent Pedesseau,Claudine Katan,Jacky Evenet al. Applied Physics Letters, 2021, 119 (18), pp.181903. ⟨10.1063/5.0070104⟩ Article dans une revue hal-03431219v1
Phonon-Limited Mobility and Electron-Phonon Coupling in Lead-Free Halide Double Perovskites Joshua Leveillee,George Volonakis,Feliciano Giustino Journal of Physical Chemistry Letters, 2021, 12 (18), pp.4474-4482. ⟨10.1021/acs.jpclett.1c00841⟩ Article dans une revue hal-03247358v1
Intrinsic quantum confinement in formamidinium lead triiodide perovskite Adam D Wright,George Volonakis,Juliane Borchert,Christopher L Davies,Feliciano Giustinoet al. Nature Materials, 2020, 19 (11), pp.1201-1206. ⟨10.1038/s41563-020-0774-9⟩ Article dans une revue hal-02930358v1

Poster de conférence (4)

Neutron scattering experiment and simulation in halide perovskite CsPbBr3 Xu Zeli,Simon Thébaud,Antoine Létoublon,Olivier Durand,Marios Zachariaset al. EMRS Spring 2025, May 2025, Strasbourg, France Poster de conférence hal-05219422v1
Anharmonic Electron-Phonon Coupling in Polymorphous Perovskites Marios Zacharias,George Volonakis,Feliciano Giustino,Jacky Even MRS Fall 2023, Nov 2023, Boston, United States Poster de conférence hal-04326574v1
Ultimate 2D Perovskite-FA DJ 2D Perovskites with Maximum Symmetry Jin Hou,Jared Fletcher,Hao Zhang,George Volonakis,Claudine Katanet al. MRS Fall 2023, Nov 2023, Boston, United States Poster de conférence hal-04326587v1
Ag-Bi-I rudorffites for solar-cell applications: Insights on their structures, electronic and optical properties from first-principles Bruno Cucco,Laurent Pedesseau,Claudine Katan,Jacky Even,Mikael Kepenekianet al. 11è Journées Nationales du PhotoVoltaïque (JNPV 2021), Nov 2021, Dourdan, France Poster de conférence hal-03500348v1

Pré-publication, Document de travail (3)

Two-dimensional perovskites with maximum symmetry enable exciton diffusion length exceeding 2 micrometers Jin Hou,Jared Fletcher,Siedah Hall,Hao Zhang,Marios Zachariaset al. 2025 Pré-publication, Document de travail hal-05344778v1
Roadmap for electronic structure, anharmonicity, and electron-phonon calculations in locally disordered inorganic and hybrid halide perovskites Marios Zacharias,George Volonakis,Laurent Pedesseau,Claudine Katan,Feliciano Giustinoet al. 2025 Pré-publication, Document de travail hal-05344840v1
Electron-phonon couplings in locally disordered materials: The case of hybrid halide perovskites Marios Zacharias,George Volonakis,Laurent Pedesseau,Claudine Katan,Feliciano Giustinoet al. 2025 Pré-publication, Document de travail hal-05344829v1