jeremie zaffran

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Upgrading the Density Functional Theory with Machine Learning for the Fast Prediction of Polyaromatic Reactivity at Bimetallic Catalysts

Jérémie Zaffran , Minyang Jiao , Raphaël Wischert , Stéphane Streiff , Sébastien Paul
Journal of Physical Chemistry C, 2024, 128 (12), pp.5084-5092. ⟨10.1021/acs.jpcc.4c00461⟩
Article dans une revue hal-04786885 v1
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Unveiling the phenol direct carboxylation reaction mechanism at ZrO2 surface

Kaihua Zhang , Changru Ma , Sebastien Paul , Jeremie Zaffran
Molecular Catalysis, 2024, 569 (1), pp.114606. ⟨10.1016/j.mcat.2024.114606⟩
Article dans une revue hal-04786879 v1
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Photocatalytic dihydroxylation of light olefins to glycols by water.

Chunyang Dong , Yinghao Wang , Z. Deng , W. Wang , Maya Marinova et al.
Nature Communications, 2024, Nature Communications, 15, pp.8210. ⟨10.1038/s41467-024-52461-9⟩
Article dans une revue hal-04773090 v1
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Direct Photocatalytic Synthesis of Acetic Acid from Methane and CO at Ambient Temperature Using Water as Oxidant

Chunyang Dong , Maya Marinova , Karima Ben Tayeb , Olga Safonova , Yong Zhou et al.
Journal of the American Chemical Society, 2023, 145 (2), pp.1185-1193. ⟨10.1021/jacs.2c10840⟩
Article dans une revue hal-04304252 v1
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Deoxydehydration of glycerol to allyl alcohol catalysed by ceria-supported rhenium oxide

Karen Silva Vargas , Jeremie Zaffran , Marcia Araque , Masahiro Sadakane , Benjamin Katryniok
Molecular Catalysis, 2023, 535, pp.112856. ⟨10.1016/j.mcat.2022.112856⟩
Article dans une revue hal-04304243 v1
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Identifying Metal–Halogen Bonding for Hydrogen-Induced Acid Generation in Bifunctional Catalysis

Yong Zhou , Martine Trentesaux , Maya Marinova , Sergei Chernyak , Jean-Charles Morin et al.
ACS Catalysis, 2023, 13 (9), pp.6351-6364. ⟨10.1021/acscatal.3c00845⟩
Article dans une revue hal-04304242 v1
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Catalytic selective oxidation of isobutane in a decoupled redox-process

Li Zhang , Jérémie Zaffran , Franck Dumeignil , Sébastien Paul , Axel Löfberg et al.
Applied Catalysis A : General, 2022, 643, pp.118798. ⟨10.1016/j.apcata.2022.118798⟩
Article dans une revue hal-03792695 v1

Hydrogen Oxidation on Ni-Based Electrocatalysts: The Effect of Metal Doping

Elena Davydova , Jérémie Zaffran , Kapil Dhaka , Maytal Toroker , Dario Dekel
Catalysts, 2018, 8 (10), pp.454. ⟨10.3390/catal8100454⟩
Article dans une revue hal-03031651 v1

Towards more accurate prediction of activation energies for polyalcohol dehydrogenation on transition metal catalysts in water

Jérémie Zaffran , Carine Michel , Françoise Delbecq , Philippe Sautet
Catalysis Science & Technology, 2016, 6 (17), pp.6615 - 6624. ⟨10.1039/c6cy00865h⟩
Article dans une revue hal-01641046 v1

Trade-Off between Accuracy and Universality in Linear Energy Relations for Alcohol Dehydrogenation on Transition Metals

Jérémie Zaffran , Carine Michel , Françoise Delbecq , Philippe Sautet
Journal of Physical Chemistry C, 2015, 119 (23), pp.12988-12998. ⟨10.1021/acs.jpcc.5b01703⟩
Article dans une revue hal-01230739 v1

Role of water on metal catalyst performance for ketone hydrogenation. A join experimental and theoretical study on levulinic acid conversion into gamma-valerolactone

Carine Michel , Jérémie Zaffran , Agnieszka M. Ruppert , Joanna Matras-Michalska , Marcin Jędrzejczyk et al.
Chemical Communications, 2014, 50 (83), pp.12403-12580. ⟨10.1039/C4CC04401K⟩
Article dans une revue hal-01230464 v1

Linear Energy Relations As Predictive Tools for Polyalcohol Catalytic Reactivity

Jérémie Zaffran , Carine Michel , Florian Auneau , Françoise Delbecq , Philippe Sautet
ACS Catalysis, 2014, 4 (2), pp.464-468. ⟨10.1021/cs4010503⟩
Article dans une revue hal-01121422 v1

Machine learning assisted computational design of solid catalyst for complex biomass molecule transformation

Jeremie Zaffran
ACS Fall 2023 "Harnessing the power of data", American Chemical Society, Aug 2023, San Francisco (CA, USA), United States. ⟨10.1021/scimeetings.3c10059⟩
Communication dans un congrès hal-04376695 v1

Theoretical studies of biomass derivatives transformation by metallic heterogeneous catalysts. A micro-solvation approach

Carine Michel , Jérémie Zaffran , Françoise Delbecq , Philippe Sautet
249th ACS National Meeting, Mar 2015, Denver, United States
Communication dans un congrès hal-02024604 v1

Role of water on metal catalyst performance for ketone hydrogenation. A join experimental and theoretical study on levulinic acid conversion into gamma-valerolactone

Carine Michel , Jérémie Zaffran , Joanna Matras-Michalska , Marcin Jędrzejczyk , Agnieszka M. Ruppert et al.
249th ACS National Meeting, Mar 2015, Denver, United States
Communication dans un congrès hal-02047203 v1

Role of water on metal catalyst performance for ketone hydrogenation. A join experimental and theoretical study on levulinic acid conversion into gamma-valerolactone

Carine Michel , Jérémie Zaffran , Joanna Matras-Michalska , Marcin Jędrzejczyk , Agnieszka M. Ruppert
249th ACS National Meeting, Mar 2015, Denver, United States
Communication dans un congrès hal-02047202 v1

Theoretical studies of biomass derivatives by metallic heterogeneous catalysts. A micro-solvation approach.

Carine Michel , Jérémie Zaffran , Françoise Delbecq , Philippe Sautet
International Conference on Theoretical Aspects of Catalysis, Jun 2014, Londres, United Kingdom
Communication dans un congrès hal-02024587 v1

Mechanistic insights for the catalytic transformation of glycerol

Carine Michel , Florian Auneau , Jérémie Zaffran , Françoise Delbecq , C. Pinel et al.
7th International Conference on Environmental Catalysis, Sep 2012, Lyon, France
Communication dans un congrès hal-02022020 v1

Alcohols dehydrogenation at close-packed surface

Carine Michel , Jérémie Zaffran , Florian Auneau , Siwar Chibani , Françoise Delbecq et al.
Tailored surfaces in operando conditions, Mar 2012, Autrans, France
Communication dans un congrès hal-02024523 v1

Alcohols dehydrogenation at close-packed surface

Carine Michel , Jérémie Zaffran , Florian Auneau , Siwar Chibani , Françoise Delbecq et al.
International Conference on Theoretical Aspects of Catalysis, Jul 2014, Londres, United Kingdom
Poster de conférence hal-02022024 v1

Alcohols dehydrogenation at close-packed surface

Carine Michel , Jérémie Zaffran , Florian Auneau , Siwar Chibani , Françoise Delbecq et al.
International Conference on Theoretical Aspects of Catalysis, Jun 2012, Vlissingen, Netherlands
Poster de conférence hal-02024368 v1