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Raffaele Cheula
Raffaele Cheula
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα phys.au.dk
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Mechanistic and multiscale aspects of thermo-catalytic CO2 conversion to C1 products
MI Alam, R Cheula, G Moroni, L Nardi, M Maestri
Catalysis Science & Technology 11 (20), 6601-6629, 2021
642021
Modeling morphology and catalytic activity of nanoparticle ensembles under reaction conditions
R Cheula, M Maestri, G Mpourmpakis
Acs Catalysis 10 (11), 6149-6158, 2020
532020
Quo vadis multiscale modeling in reaction engineering?–A perspective
GD Wehinger, M Ambrosetti, R Cheula, ZB Ding, M Isoz, B Kreitz, ...
Chemical Engineering Research and Design 184, 39-58, 2022
522022
Prediction of morphological changes of catalyst materials under reaction conditions by combined ab initio thermodynamics and microkinetic modelling
R Cheula, A Soon, M Maestri
Catalysis Science & Technology 8 (14), 3493-3503, 2018
342018
Nature and identity of the active site via structure-dependent microkinetic modeling: An application to WGS and reverse WGS reactions on Rh
R Cheula, M Maestri
Catalysis Today 387, 159-171, 2022
152022
Local Ordering of Molten Salts at NiO Crystal Interfaces Promotes High‐Index Faceting
R Cheula, MD Susman, DH West, S Chinta, JD Rimer, M Maestri
Angewandte Chemie 133 (48), 25595-25600, 2021
132021
Unraveling the Effect of Dopants in Zirconia-Based Catalysts for CO2 Hydrogenation to Methanol
R Cheula, TAMQ Tran, M Andersen
ACS Catalysis 14 (17), 13126-13135, 2024
22024
Role of Cu Oxide and Cu Adatoms in the Reactivity of CO2 on Cu(110)
S Jensen, R Cheula, M Hedevang, M Andersen, JV Lauritsen
Angewandte Chemie 136 (33), e202405554, 2024
22024
Accessing Numerical Energy Hessians with Graph Neural Network Potentials and Their Application in Heterogeneous Catalysis
B Wander, J Musielewicz, R Cheula, JR Kitchin
The Journal of Physical Chemistry C, 2024
12024
Investigating the Fitting Errors of Machine Learning Potentials on the Open Catalyst 2020 (OC20) Dataset
KAH Abdelmaqsoud, M Shuaibi, A Kolluru, R Cheula, J Kitchin
2024 AIChE Annual Meeting, 2024
2024
Microkinetic Modeling and Design of Catalytic Materials with Fine-Tuned Machine-Learning Interatomic Potentials
R Cheula, M Andersen, J Kitchin
2024 AIChE Annual Meeting, 2024
2024
Mechanistic Insights into r-WGS Reaction on Rh and Pt Via a Combined Experimental and Structure-Dependent Microkinetic Analysis
G Spanò, L Nardi, G Contaldo, R Cheula, C Negri, M Maestri
2024 AIChE Annual Meeting, 2024
2024
Investigating the error imbalance of large-scale machine learning potentials in catalysis
K Abdelmaqsoud, M Shuaibi, A Kolluru, R Cheula, JR Kitchin
Catalysis Science & Technology 14 (20), 5899-5908, 2024
2024
Modeling and Design of Single-Atom Alloy Catalysts for CO2 Hydrogenation Reactions
M Andersen, R Cheula
2023 AIChE Annual Meeting, 2023
2023
Cross-Talking of Ni Metal Nanoparticle Facets Explains the Structuresensitivity of the CO2 Methanation Reaction
M Ferri, R Cheula, M Monai, BM Weckhuysen, M Maestri
The 28th North American Catalysis Society Meeting, 2023
2023
Crystallization of NiO Exposing High-Index Facets By Molten Salt Synthesis
MD Susman, HN Pham, X Zhao, R Cheula, D West, S Chinta, M Maestri, ...
2022 AIChE Annual Meeting, 2022
2022
Oxidative Coupling of Methane: Developing Structure-Property Relationships for High-Performance Metal Oxide Catalysts
MD Susman, M Ferri, R Cheula, HN Pham, A Datye, S Chinta, D West, ...
2022 AIChE Annual Meeting, 2022
2022
Explaining the Shape Selectivity of High-Index NiO Particles Produced By Molten Salts Synthesis
R Cheula, MD Susman, D West, S Chinta, JD Rimer, M Maestri
The 27th North American Catalysis Society Meeting, 2022
2022
Inside Cover: Local Ordering of Molten Salts at NiO Crystal Interfaces Promotes High‐Index Faceting (Angew. Chem. Int. Ed. 48/2021)
R Cheula, MD Susman, DH West, S Chinta, JD Rimer, M Maestri
Angewandte Chemie International Edition 60 (48), 25166-25166, 2021
2021
Innentitelbild: Local Ordering of Molten Salts at NiO Crystal Interfaces Promotes High‐Index Faceting (Angew. Chem. 48/2021).
R Cheula, MD Susman, DH West, S Chinta, JD Rimer, M Maestri
Angewandte Chemie 133 (48), 2021
2021
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