Publications by authors named "Raffaele Cheula"

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Interpretable machine learned predictions of adsorption energies at the metal-oxide interface.
Marius Juul Nielsen, Luuk H E Kempen, Julie de Neergaard Ravn, Raffaele Cheula, Mie Andersen

J Chem Phys· July 2025

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Deciphering Size and Shape Effects on the Structure Sensitivity of the CO Methanation Reaction on Nickel.
Gabriele Spanò, Matteo Ferri, Raffaele Cheula, Matteo Monai, Bert M Weckhuysen

ACS Catal· May 2025

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Accessing Numerical Energy Hessians with Graph Neural Network Potentials and Their Application in Heterogeneous Catalysis.
Brook Wander, Joseph Musielewicz, Raffaele Cheula, John R Kitchin

J Phys Chem C Nanomater Interfaces· February 2025

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Role of Cu Oxide and Cu Adatoms in the Reactivity of CO on Cu(110).
Sigmund Jensen, Raffaele Cheula, Martin Hedevang, Mie Andersen, Jeppe V Lauritsen

Angew Chem Int Ed Engl· August 2024

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Local Ordering of Molten Salts at NiO Crystal Interfaces Promotes High-Index Faceting.
Raffaele Cheula, Mariano D Susman, David H West, Sivadinarayana Chinta, Jeffrey D Rimer

Angew Chem Int Ed Engl· November 2021

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Mechanistic and multiscale aspects of thermo-catalytic CO conversion to C products.
Md Imteyaz Alam, Raffaele Cheula, Gianluca Moroni, Luca Nardi, Matteo Maestri

Catal Sci Technol· October 2021

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Prediction of morphological changes of catalyst materials under reaction conditions by combined thermodynamics and microkinetic modelling.
Raffaele Cheula, Aloysius Soon, Matteo Maestri

Catal Sci Technol· July 2018

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