http://www.cnr.it/ontology/cnr/individuo/prodotto/ID170634

Hydrogen-Assisted Transformation of CO2 on Nickel: The Role of Formate and Carbon Monoxide (Articolo in rivista)

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Hydrogen-Assisted Transformation of CO2 on Nickel: The Role of Formate and Carbon Monoxide (Articolo in rivista) (literal)

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Alternative label

Vesselli E.; Rizzi M.; De Rogatis L.; Ding X.; Baraldi A.; Comelli G.; Savio L.; Vattuone L.; Rocca M.; Fornasiero P.; Baldereschi A.; Peressi M. (2010)
Hydrogen-Assisted Transformation of CO2 on Nickel: The Role of Formate and Carbon Monoxide
in The journal of physical chemistry letters; AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 (Stati Uniti d'America)
(literal)

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Vesselli E.; Rizzi M.; De Rogatis L.; Ding X.; Baraldi A.; Comelli G.; Savio L.; Vattuone L.; Rocca M.; Fornasiero P.; Baldereschi A.; Peressi M. (literal)

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In: Journal of Physical Chemistry Letters, vol. 1 (1) pp. 402 - 406. AMER CHEMICAL SOC, 2010. (literal)

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Physics Department and CENMAT, University of Trieste, and Laboratorio Nazionale TASC, Theoretical Physics Department, University of Trieste and DEMOCRITOS INFM-CNR National Simulation Center, Chemistry Department, University of Trieste, DEMOCRITOS INFM-CNR National Simulation Center, Trieste, Italy,, CNR-IMEM, Genova, Dipartimento di Fisica Genova e CNR-IMEM, Genova, Chemistry Department, University of Trieste and INSTM, DEMOCRITOS INFM-CNR National Simulation Center and Theoretical Physics Department, University of Trieste and EPFL Lausanne, Theoretical Physics Department, University of Trieste and DEMOCRITOS INFM-CNR National Simulation Center, Trieste, Italy (literal)

Titolo

Hydrogen-Assisted Transformation of CO2 on Nickel: The Role of Formate and Carbon Monoxide (literal)

Abstract

The nanoscale description of the reaction pathways and of the role of the intermediate species involved in a chemical process is a crucial milestone for tailoring more active, stable, and cheaper catalysts, thus providing \"reaction engineering\" capabilities. This level of insight has not been achieved yet for the catalytic hydrogenation of CO2 on Ni catalysts, a reaction of enormous environmental relevance.We present a thorough atomic-scale description of the mechanisms of this reaction, studied under controlled conditions on a model Ni catalyst, thus clarifying the long-standing debate on the actual reaction path followed by the reactants. Remarkably, formate, which is always observed under standard conditions, is found to be just a \"dead-end\" spectator molecule, formed via a Langmuir- Hinshelwood process, whereas the reaction proceeds through parallel Eley-Rideal channels, where hydrogen-assisted C-O bond cleavage in CO2 yields CO already at liquid nitrogen temperature. (literal)

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