FEDERICO
CALLE VALLEJO
VISITANTE IKERBASQUE
![Foto de Frances](/img/nophoto.png)
Frances
Illas Riera
Publicaciones en las que colabora con Frances Illas Riera (12)
2023
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A general but still unknown characteristic of active oxygen evolution electrocatalysts
Chemical Science, Vol. 14, Núm. 13, pp. 3622-3629
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Evaluating Adsorbate-Solvent Interactions: Are Dispersion Corrections Necessary?
Journal of Physical Chemistry C, Vol. 127, Núm. 21, pp. 10134-10139
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Extracting Features of Active Transition Metal Electrodes for NO Electroreduction with Catalytic Matrices
ACS Applied Materials and Interfaces, Vol. 15, Núm. 18, pp. 22176-22183
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Minimum conditions for accurate modeling of urea production via co-electrolysis
Communications Chemistry, Vol. 6, Núm. 1
2022
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Gas-Phase Errors Affect DFT-Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide
ChemElectroChem, Vol. 9, Núm. 12
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On the shifting peak of volcano plots for oxygen reduction and evolution
Electrochimica Acta, Vol. 426
2021
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Importance of the gas-phase error correction for O2 when using DFT to model the oxygen reduction and evolution reactions
Journal of Electroanalytical Chemistry, Vol. 896
2020
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A Semiempirical Method to Detect and Correct DFT-Based Gas-Phase Errors and Its Application in Electrocatalysis
ACS Catalysis, Vol. 10, Núm. 12, pp. 6900-6907
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Designing water splitting catalysts using rules of thumb: Advantages, dangers and alternatives
Physical Chemistry Chemical Physics, Vol. 22, Núm. 13, pp. 6797-6803
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Elucidating the Structure of Ethanol-Producing Active Sites at Oxide-Derived Cu Electrocatalysts
ACS Catalysis, Vol. 10, Núm. 18, pp. 10488-10494
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MXenes: New Horizons in Catalysis
ACS Catalysis, Vol. 10, Núm. 22, pp. 13487-13503
2019
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Affordable Estimation of Solvation Contributions to the Adsorption Energies of Oxygenates on Metal Nanoparticles
Journal of Physical Chemistry C, Vol. 123, Núm. 9, pp. 5578-5582