CF
Cesare Franchini
cond-mat.mtrl-scicond-mat.str-elcond-mat.supr-conphysics.comp-phphysics.chem-phcond-mat.otherdensity functional theorysingle-atom catalysisadsorptioncond-mat.mes-hall
On Valency
published · living versionsW_6hs6zc7g·v1 · currentpublished
A direct view at excess electrons in TiO rutile and anatase
with Martin Setvin, Xianfeng Hao, Michael Schmid, Anderson Janotti +4
1 version
Preprints & journals
165 papers in the corpus · 1976–2026Nonadiabatic polaron dynamics from machine-learned hopping trajectories2610.19842v1 · Daniela Mangano, Luca Leoni, Zhongfei Xu et al.2026 · 0 citationsarXiv
First-principles theory of phonon renormalization from nonlinear electron-phonon interactions2609.20639v3 · Florian Kluibenschedl, Matthew Houtput, Jacques Tempere et al.2026 · 0 citationsarXiv
CO on a Rh/Fe3O4 single-atom catalyst: high-resolution infrared spectroscopy and near-ambient-pressure scanning tunnelling microscopy.42172086 · Barama, Nail El Hocine, Wang, Chunlei, Sombut, Panukorn et al.2026 · 2 citationsFaraday discussions. 2026;267(0):172-195
Machine-Learned Dynamics of Surface Polarons at Reduced Oxide Surfaces.42593314 · Leoni, Luca, Franchini, Cesare2026 · 0 citationsThe journal of physical chemistry letters. 2026;17(32):9237-9245
Polaron-Driven Switching of Octupolar Order in Doped 5d^2 Double Perovskite.42573337 · Fiore Mosca, Dario, Celiberti, Lorenzo, Pourovskii, Leonid V et al.2026 · 0 citationsPhysical review letters. 2026;137(4):046504
Total Variation-Based Image Decomposition and Denoising for Microscopy Images.42119001 · Corrias, Marco, Franceschi, Giada, Riva, Michele et al.2026 · 0 citationsMicroscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada. 2026;32(3)
Machine learning the order-disorder Jahn-Teller transition in LaMnO3.42081335 · Celiberti, Lorenzo, Ehrentraut, Alexander, Leoni, Luca et al.2026 · 1 citationThe Journal of chemical physics. 2026;164(17)
Machine Learning the order-disorder Jahn-Teller transition in LaMnO2604.08058v1 · Lorenzo Celiberti, Alexander Ehrentraut, Luca Leoni et al.2026 · 0 citationsarXiv
Photoexcited Hole States at the SrTiO3(001) Surface Imaged with Noncontact AFM2604.07114v1 · Igor Sokolovic, Florian Ellinger, Aji Alexander et al.2026 · 0 citationsarXiv
Polaron-mediated anisotropic exchange in 2D magnets2603.17619v1 · Johanna P. Carbone, Jakob Baumsteiger, Cesare Franchini2026 · 0 citationsarXiv
Importance of nonlinear long-range electron-phonon interaction for the carrier mobility of anharmonic halide perovskites2603.10954v2 · Matthew Houtput, Ingvar Zappacosta, William Wenborn et al.2026 · 0 citationsPhys. Rev. B 114, L200301 (2026)
Extending the Feynman variational principle and analytical methods to lattice polarons2603.09609v2 · S. N. Klimin, J. Tempere, M. Houtput et al.2026 · 0 citationsPhys. Rev. B 113, 245128 (2026)
Hydrogen Activation via Dihydride Formation on a Rh1/Fe3O4(001) Single-Atom Catalyst.41709585 · Wang, Chunlei, Sombut, Panukorn, Puntscher, Lena et al.2026 · 3 citationsAngewandte Chemie (International ed. in English). 2026;65(14):e25745
Hydrogen Activation via Dihydride Formation on a Rh1/Fe3O4(001) Single-Atom Catalyst2601.14756v1 · Chunlei Wang, Panukorn Sombut, Lena Puntscher et al.2026 · 0 citationsarXiv
Coupling between ferroelectric distortions and excitonic properties in PbTiO2512.02196v1 · Pietro Pacchioni, Lorenzo Varrassi, Cesare Franchini2025 · 0 citationsarXiv
Metastable Multi-centered Polarons in BiVO2511.19853v1 · Seyeon Park, Yajing Zhang (1, Michele Reticcioli (3 et al.2025 · 0 citationsarXiv
Multi-technique characterization of rhodium gem-dicarbonyls on TiO2(110).41142398 · Eder, Moritz, Lewis, Faith J, Hütner, Johanna I et al.2025 · 2 citationsChemical science. 2025;16(47):22481-22489
AMaRaNTA: Automated First-Principles Exchange Parameters In 2D Magnets2509.20226v1 · Federico Orlando, Andrea Droghetti, Lorenzo Varrassi et al.2025 · 2 citationsnpj Comput Mater 12, 146 (2026)
Magnetic behavior of the Re-based double perovskite SrZnReO2509.04071v4 · Muhammad Maikudi Isah, Biswajit Dalal, Xun Kang et al.2025 · 1 citationPhys. Rev. B 113, 104431 (2026)
Hidden orders in spin-orbit entangled correlated insulators2509.01788v1 · Leonid V. Pourovskii, Dario Fiore Mosca, Lorenzo Celiberti et al.2025 · 16 citationsNature Reviews Materials volume 10, pages 674-696 (2025)
Spin Matters: A Multidisciplinary Roadmap to UnderstandingSpin Effects in Oxygen Evolution Reaction during WaterElectrolysis10.26434/chemrxiv-2025-00jf2 · Emma van der Minne, Priscila Vensaus, Vadim Ratovskii et al.2025 · 1 citationChemRxiv
Machine Learning Small Polaron Dynamics.40531006 · Birschitzky, Viktor C, Leoni, Luca, Reticcioli, Michele et al.2025 · 17 citationsPhysical review letters. 2025;134(21):216301
Quantum Delocalization Enables Water Dissociation on Ru(0001).40408746 · Cao, Yu, Wang, Jiantao, Liu, Mingfeng et al.2025 · 7 citationsPhysical review letters. 2025;134(17):178001
Coupling between small polarons and ferroelectricity in BaTiO32503.12693v4 · Darin Joseph, Cesare Franchini2025 · 1 citationarXiv
The surface phase diagram of Fe3O4(001) revisited.40160373 · Sombut, Panukorn, Meier, Matthias, Eder, Moritz et al.2025 · 7 citationsRSC applied interfaces. 2025;2(3):673-683
Automatic determination of quasicrystalline patterns from microscopy images2503.05472v1 · Tano Kim Kender, Marco Corrias, Cesare Franchini2025 · 0 citationsarXiv
Structure and Dynamics of the Magnetite(001)/Water Interface from Molecular Dynamics Simulations Based on a Neural Network Potential.39946686 · Romano, Salvatore, Montero de Hijes, Pablo, Meier, Matthias et al.2025 · 12 citationsJournal of chemical theory and computation. 2025;21(4):1951-1960
Exploring Noncollinear Magnetic Energy Landscapes with Bayesian Optimization2412.16433v1 · Jakob Baumsteiger, Lorenzo Celiberti, Patrick Rinke et al.2024 · 4 citationsarXiv
First-principles theory of nonlinear long-range electron-phonon interaction2412.09456v2 · Matthew Houtput, Luigi Ranalli, Carla Verdi et al.2024 · 6 citationsarXiv
Atomic-Scale View at the Segregation of Alkali Metals toward the KTaO3(001) Perovskite Surface.39656032 · Alexander, Aji, Reticcioli, Michele, Albons, Llorenç et al.2025 · 8 citationsACS applied materials & interfaces. 2024;16(50):70010-70019
Real-space investigation of polarons in hematite Fe2O3.39485848 · Redondo, Jesus, Reticcioli, Michele, Gabriel, Vit et al.2024 · 23 citationsScience advances. 2024;10(44):eadp7833
Automated Workflow for Accurate High-Throughput GW Calculations2410.15948v1 · Lorenzo Varrassi, Florian Ellinger, Espen Flage-Larsen et al.2024 · 0 citationsarXiv
Quantitative Measurement of Cooperative Binding in Partially Dissociated Water Dimers at the Hematite "R-Cut" Surface.39416807 · Ryan, Paul T P, Sombut, Panukorn, Rafsanjani-Abbasi, Ali et al.2024 · 2 citationsThe journal of physical chemistry. C, Nanomaterials and interfaces. 2024;128(40):16977-16985
Digging Its Own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst.39293063 · Rafsanjani-Abbasi, Ali, Buchner, Florian, Lewis, Faith J et al.2024 · 11 citationsACS nano. 2024;18(39):26920-26927
Electron-beam-induced adatom-vacancy-complexes in mono- and bilayer phosphorene2409.11102v1 · Carsten Speckmann, Andrea Angeletti, Luk'as K'yvala et al.2024 · 3 citationsarXiv
A Multitechnique Study of C2H4 Adsorption on a Model Single-Atom Rh1 Catalyst.39323572 · Wang, Chunlei, Sombut, Panukorn, Puntscher, Lena et al.2024 · 6 citationsThe journal of physical chemistry. C, Nanomaterials and interfaces. 2024;128(37):15404-15411
Molecular hydrogen in the N-doped LuH3 system as a possible path to superconductivity.39179540 · Tresca, Cesare, Forcella, Pietro Maria, Angeletti, Andrea et al.2024 · 4 citationsNature communications. 2024;15(1):7283
Evolution of the Coulomb interactions in correlated transition-metal perovskite oxides from the constrained random phase approximation2408.10440v1 · Liang Si, Peitao Liu, Cesare Franchini2024 · 11 citationsarXiv
Origin of Magnetism in a Supposedly Nonmagnetic Osmium Oxide.39178448 · Agrestini, S, Borgatti, F, Florio, P et al.2024 · 23 citationsPhysical review letters. 2024;133(6):066501
Correction to "Ultrastrong Coupling between Polar Distortion and Optical Properties in Ferroelectric MoBr2O2".39087563 · Li, Zhaojun, Varrassi, Lorenzo, Yang, Yali et al.2024 · 0 citationsJournal of the American Chemical Society. 2024;146(32):22860
Hydrogen Diffusion in Magnesium Using Machine Learning Potentials: a comparative study2407.21088v2 · Andrea Angeletti, Luca Leoni, Dario Massa et al.2024 · 26 citationsnpj Comput Mater 11, 85 (2025)
Electron Mobilities in SrTiO and KTaO: Role of Phonon Anharmonicity, Mass Renormalization and Disorder2407.18771v1 · Luigi Ranalli, Carla Verdi, Marios Zacharias et al.2024 · 8 citationsarXiv
Ultrastrong Coupling between Polar Distortion and Optical Properties in Ferroelectric MoBr2O2.38780106 · Li, Zhaojun, Varrassi, Lorenzo, Yang, Yali et al.2024 · 3 citationsJournal of the American Chemical Society. 2024;146(22):15411-15419
Analytic method for quadratic polarons in nonparabolic bands2403.18019v3 · Serghei N. Klimin, Jacques Tempere, Matthew Houtput et al.2024 · 5 citationsPhys. Rev. B 110, 075107 (2024)
Spin-orbital Jahn-Teller bipolarons.38499529 · Celiberti, Lorenzo, Fiore Mosca, Dario, Allodi, Giuseppe et al.2024 · 22 citationsNature communications. 2024;15(1):2429
CO-Induced Dimer Decay Responsible for Gem-Dicarbonyl Formation on a Model Single-Atom Catalyst.38294119 · Wang, Chunlei, Sombut, Panukorn, Puntscher, Lena et al.2024 · 11 citationsAngewandte Chemie (International ed. in English). 2024;63(16):e202317347
Ultrastrong coupling between polar distortion and optical properties in ferroelectric MoBrO2402.15949v1 · Zhaojun Li, Lorenzo Varrassi, Yali Yang et al.2024 · 1 citationarXiv
Interplay of superexchange and vibronic effects in the hidden order of BaMgReO from first principles2402.15564v3 · Dario Fiore Mosca, Cesare Franchini, Leonid V. Pourovskii2024 · 14 citationsPhysical Review B 110, L201101 (2024)
Global sampling of Feynman's diagrams through Normalizing Flow2402.00736v2 · Luca Leoni, Cesare Franchini2024 · 0 citationsarXiv
Machine Learning Based Prediction of Polaron-Vacancy Patterns on the TiO(110) Surface2401.12042v1 · Viktor C. Birschitzky, Igor Sokolovic, Michael Prezzi et al.2024 · 1 citationarXiv
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