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Pascal Raybaud

IFP Energies Nouvelles

63H-index
189Paper Count
1.2WCitation Count
Published Papers 110
Publication Date
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Mechanistic and kinetic insights into the double alkoxycarbonylation of butadiene toward dimethyl adipate
errJournal of Catalysis
IF6.5
err2026-03-26
err0
errOAAI
errMohammad Ameskal; Lionel Magna; Juan M. Asensio; Pascal Raybaud
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Unbiased molecular dynamics for the direct determination of catalytic reaction times: Paving the way beyond transition state theory
errJournal of Catalysis
IF6.5
err2026-03-11
err0
errOAAI
errThomas Pigeon; Manuel Corral Valero; Pascal Raybaud
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Elucidating the Genesis and Nature of Alumina Supported Pt Single Atoms during Reduction: On the Role of Chlorine
errACS Catalysis
IF13.1
err2026-02-13
err0
PREAI
errAdrien Hellier; Céline Chizallet; Pascal Raybaud
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Operando photocatalytic cell for time-resolved XAS/GC analysis of gas phase CO2 photoreduction
errJournal of Synchrotron Radiation
IF3
err2026-01-01
err2
errOAAI
errRoth, Sebastien; Bonduelle-Skrzypczak, Audrey; Legens, Christele; Marin, Julie; Barthe, Laurent; Beauvois, Anthony; Briois, Valerie; Raybaud, Pascal
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Pt nanoparticles breathe and reversibly detach from Al2O3 in hydrogen
errNature Communications
IF15.7
err2025-10-30
err0
errOAAI
errDaniele Bonavia; Alberto Ricchebuono; Paolo Lazzarini; Eleonora Vottero; Riccardo Pellegrini; Andrea Piovano; Céline Chizallet; Pascal Raybaud; Catherine Dejoie; Ivo Alxneit; Stefano Checchia; Davide Ferri; Elena Groppo
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Unravelling the mechanism for the mono-alkoxycarbonylation of butadiene: what is the role of the base?
errJournal of Catalysis
IF6.5
err2025-05-22
err0
errOAAI
errMohammad Ameskal; Lionel Magna; Juan M. Asensio; Pascal Raybaud
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errSave
The speciation of phosphates adsorbed on γ-alumina revealed by 31P NMR, AIMD and machine learning
errCATALYSIS SCIENCE & TECHNOLOGY
IF4.2
err2025-01-01
err2
PREAI
errHuhn, Adrian; Jiang, Tao; Valero, Manuel Corral; Rivallan, Mickael; Lesage, Anne; Michel, Carine; Raybaud, Pascal
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Effect of Oxidized Tin Interfacial Atoms on Methylcyclohexane Dehydrogenation Catalyzed by γ-Alumina Supported Platinum Clusters
errCHEMCATCHEM
IF3.9
err2024-10-09
err0
errOAAI
errShahrokhi, Masoud; Chizallet, Celine; Loffreda, David; Raybaud, Pascal
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Meeting the Industrial Challenges of CO2 Photocatalytic Reduction: Moving From Molybdenum Disulfides to Oxysulfides Based Materials?
errCHEMSUSCHEM
IF6.6
err2024-09-10
err0
errOAAI
errRoth, Sebastien; Bonduelle-Skrzypczak, Audrey; Legens, Christele; Raybaud, Pascal
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errSave
Electrocatalytic Reduction Mechanisms of CO2 on MoS2 Edges Using Grand-Canonical DFT: From CO2 Adsorption to HCOOH or CO
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-06-10
err3
PREAI
errRamzan, Muhammad Akif; Favre, Remi; Steinmann, Stephan N.; Le Bahers, Tangui; Raybaud, Pascal
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Importance of Dynamic Effects in Isobutanol to Linear Butene Conversion Catalyzed by Acid Zeolites Assessed by AIMD
errACS CATALYSIS
IF13.1
err2024-04-29
err1
PREAI
errGesvandtnerova, Monika; Raybaud, Pascal; Chizallet, Celine; Bucko, Tomas
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Identification of oxidized platinum single atoms on chlorinated γ-alumina support by density functional theory calculations and X-ray absorption spectroscopy
errJOURNAL OF CATALYSIS
IF6.5
err2024-01-01
err5
errOAAI
errHellier, Adrien; Batista, Ana T. F.; Legens, Christele; Tapia, Antonio Aguilar; Proux, Olivier; Hazemann, Jean-Louis; Gay, Anne-Sophie; Joly, Yves; Chizallet, Celine; Raybaud, Pascal
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Electrochemical Potential-Dependent Stability and Activity of MoS3 during the Hydrogen Evolution Reaction
errACS CATALYSIS
IF13.1
err2023-11-09
err6
errOAAI
errAbidi, Nawras; Sahu, Amit; Raybaud, Pascal; Steinmann, Stephan
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Assessing Low-Cost Computational Methods against Structural Properties and Size Effects of Pt nanoparticles
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-09-07
err7
errOAAI
errRicchebuono, Alberto; Vottero, Eleonora; Piovano, Andrea; Groppo, Elena; Raybaud, Pascal; Chizallet, Ceïline
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Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Ab Initio Molecular Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-05
err5
errOAAI
errPigeon, Thomas; Stoltz, Gabriel; Corral-Valero, Manuel; Anciaux-Sedrakian, Ani; Moreaud, Maxime; Lelievre, Tony; Raybaud, Pascal
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errSave
Stability of Pt10Sn3 Clusters Supported on γ-Al2O3 in Oxidizing Environment: a DFT Comparison of Alloying and Size Effects
errCHEMCATCHEM
IF3.9
err2022-11-17
err5
errOAAI
errShahrokhi, Masoud; Chizallet, Celine; Loffreda, David; Raybaud, Pascal
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Monomolecular mechanisms of isobutanol conversion to butenes catalyzed by acidic zeolites: Alcohol isomerization as a key to the production of linear butenes
errJOURNAL OF CATALYSIS
IF6.5
err2022-09-01
err7
errOAAI
errGesvandtnerova, Monika; Bucko, Tomas; Raybaud, Pascal; Chizallet, Celine
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Evidence for H2-Induced Ductility in a Pt/Al2O3 Catalyst
errACS CATALYSIS
IF13.1
err2022-05-06
err12
errOAAI
errVottero, Eleonora; Carosso, Michele; Ricchebuono, Alberto; Jimenez-Ruiz, Monica; Pellegrini, Riccardo; Chizallet, Celine; Raybaud, Pascal; Groppo, Elena; Piovano, Andrea
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Genesis of MoS2 from model-Mo-oxide precursors supported on y-alumina
errJOURNAL OF CATALYSIS
IF6.5
err2022-04-01
err8
errOAAI
errSahu, Amit; Steinmann, Stephan N.; Raybaud, Pascal
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errSave
Multiscale Modeling as a Tool for the Prediction of Catalytic Performances: The Case of n-Heptane Hydroconversion in a Large-Pore Zeolite
errACS CATALYSIS
IF13.1
err2022-01-04
err23
errOAAI
errSchweitzer, Jean-Marc; Rey, Jerome; Bignaud, Charles; Bucko, Tomas; Raybaud, Pascal; Moscovici-Mirande, Mailys; Portejoie, Frederic; James, Christophe; Bouchy, Christophe; Chizallet, Celine
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Research Directions

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Co-authors
Cooperation Journals
G
Georg Kresse
H-index: 128 · Papers: 503
S
Silvia Bordiga
H-index: 123 · Papers: 710
L
Lyndon Emsley
H-index: 106 · Papers: 738
C
Christophe Copéret
H-index: 99 · Papers: 1.1K
J
Joachim Sauer
H-index: 97 · Papers: 589
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