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Catalysis

Working Paper

Small Cobalt Nanoparticles Favor Reverse Water-Gas Shift Reaction over Methanation Under CO2 Hydrogenation Conditions

Xiaoyu Zhou, Gregory A. Price, Glenn J. Sunley, Christophe Copéret

Version 1 posted 21 September 2023

273

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Catalysis

Working Paper

Reactivity Switch of Platinum with Gallium: From Reverse Water Gas Shift to Methanol Synthesis

Wei Zhou, Enzo Brack, Christian Ehinger, James Paterson, Jamie Southouse, Christophe Copéret

Version 2 posted 28 March 2024

347

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Catalysis

Working Paper

Group 10 Metal Allyl Amidinates: A Family of Readily Accessible and Stable Molecular Precursors to Generate Supported Nanoparticles

Christian Ehinger, Xiaoyu Zhou, Max Candrian, Scott R. Docherty, Stephan Pollitt, Christophe Copéret

Version 1 posted 16 March 2023

293

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Catalysis

Working Paper

Accelerated discovery of multi-elemental reverse water-gas shift catalysts using extrapolative machine learning approach

Gang Wang, Shinya Mine, Duotian Chen, Yuan Jing, Kah Wei Ting, Taichi Yamaguchi, Motoshi Takao, Zen Maeno, Ichigaku Takigawa, Koichi Matsushita, Ken-ichi Shimizu, Takashi Toyao

Version 1 posted 25 August 2022

835

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Catalysis

Working Paper

Hyper-crosslinked polyphosphines as microporous macroligands for catalytic CO2 hydrogenation – a systematic study on structure-activity relations

Arne Nisters, Steffen Schleuning, Gerd Buntkowsky, Torsten Gutmann, Marcus Rose

Version 1 posted 26 April 2024

44

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Catalysis

Working Paper

Intermediate Transfer Rates and Solid-State Ion Exchange are Key Factors Determining the Bifunctionality of a Tandem CO2 Hydrogenation Catalyst

Fatima Mahnaz, Jasan Mangalindan, Jenna Vito, Yu-Ting Lin, Mustafa Akbulut, Manish Shetty

Version 1 posted 21 July 2023

184

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Catalysis

Working Paper

Metadynamics Simulations Reveal Alloying-Dealloying Processes During CO2 Hydrogenation with Bimetallic PdGa Nanoparticle Catalysts

Julian F. Baumgärtner, Andreas Müller, Scott R. Docherty, Aleix Comas-Vives, Pierre-Adrien Payard, Christophe Copéret

Version 3 posted 29 September 2023

598

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Catalysis

Working Paper

Kinetics-Constrained Neural Ordinary Differential Equations: Artificial Neural Network Models tailored for Small Data to boost Kinetic Model Development

Aleksandr Fedorov, Anna Perechodjuk, David Linke

Version 1 posted 15 May 2023

719

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Catalysis

Working Paper

Boundary Conditions for Promotion versus Poisoning in Copper-Gallium-based CO2–to–Methanol Hydrogenation Catalysts

Jan L. Alfke, Maria Tejeda-Serrano, Sumant Phadke, Andrei Tereshchenko, Terry Z. H. Gani, Lukas Rochlitz, Seraphine B. X. Y. Zhang, Lin Lin, Christophe Copéret, Olga V. Safonova

Version 3 posted 01 February 2024

596

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Theoretical and Computational Chemistry

Working Paper

Improving Molecule-Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2 Hydrogenation

Yuxiang Cai, Roel Michiels, Federica De Luca, Erik Neyts, Xin Tu, Annemie Bogaerts, Nick Gerrits

Version 2 posted 17 November 2023

284

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Refine Search

23 results in co2 hydrogenation in Keywords: co2 hydrogenation

Small Cobalt Nanoparticles Favor Reverse Water-Gas Shift Reaction over Methanation Under CO2 Hydrogenation Conditions

Reactivity Switch of Platinum with Gallium: From Reverse Water Gas Shift to Methanol Synthesis

Group 10 Metal Allyl Amidinates: A Family of Readily Accessible and Stable Molecular Precursors to Generate Supported Nanoparticles

Accelerated discovery of multi-elemental reverse water-gas shift catalysts using extrapolative machine learning approach

Hyper-crosslinked polyphosphines as microporous macroligands for catalytic CO2 hydrogenation – a systematic study on structure-activity relations

Intermediate Transfer Rates and Solid-State Ion Exchange are Key Factors Determining the Bifunctionality of a Tandem CO2 Hydrogenation Catalyst

Metadynamics Simulations Reveal Alloying-Dealloying Processes During CO2 Hydrogenation with Bimetallic PdGa Nanoparticle Catalysts

Kinetics-Constrained Neural Ordinary Differential Equations: Artificial Neural Network Models tailored for Small Data to boost Kinetic Model Development

Boundary Conditions for Promotion versus Poisoning in Copper-Gallium-based CO2–to–Methanol Hydrogenation Catalysts

Improving Molecule-Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2 Hydrogenation

23 results in Keywords: co2 hydrogenation