Catalytic processes at interfaces
Catalysis is essential in our current super-technological society. Most catalysts used in industry are porous, high-area solids with nanoparticles dispersed on the internal surfaces. The catalytic surfaces are heterogeneous in both composition and structure. Thus technological advances are often the result of trial-and-error discovery. Similarly, electrocatalysis has become crucial for applications such as efficient energy conversion in fuel cells. We aim to contribute to the development of the widely used Pt-based (electro)catalysis, with special emphasis on hydrogen fuel cells. Our goal is to theoretically design (electro)catalysts with optimized performance: activity, selectivity and durability, while further advancing key aspects of the current computational modeling of metal nanocatalysts.
Selected Publications
Deposited PtGe Clusters as Active and Durable Catalysts for CO Oxidation**
ChemCatChem, 2024 , 16 (3) , e202301137
BibTeX
@article{deposited-ptge-clusters-as-active-and-durable-catalysts-for-co-oxidation,
title = {Deposited PtGe Clusters as Active and Durable Catalysts for CO Oxidation**},
author = {Andoni Ugartemendia and Jose M. Mercero and Abel de Cózar and Marko M. Melander and Jaakko Akola and Elisa Jimenez‐Izal},
journal = {ChemCatChem},
year = {2024},
volume = {16},
number = {3},
pages = {e202301137},
doi = {10.1002/cctc.202301137},
url = {https://doi.org/10.1002/cctc.202301137},
}
Boosting synergistic effects between PtGe nanoalloys and 2D materials for PEMFC applications
International Journal of Hydrogen Energy, 2024 , 89 , 233-253
BibTeX
@article{boosting-synergistic-effects-between-ptge-nanoalloys-and-2d-materials-for-pemfc-applications,
title = {Boosting synergistic effects between PtGe nanoalloys and 2D materials for PEMFC applications},
author = {Andoni Ugartemendia and Ramón M. Bergua and Jose M. Mercero and Elisa Jimenez-Izal},
journal = {International Journal of Hydrogen Energy},
year = {2024},
volume = {89},
pages = {233-253},
doi = {10.1016/j.ijhydene.2024.09.279},
url = {https://doi.org/10.1016/j.ijhydene.2024.09.279},
}
Unraveling the effects of Fe and Mn promoters on the tungstated zirconia catalyst: A DFT study
Applied Surface Science, 2022 , 599 , 154052
BibTeX
@article{unraveling-the-effects-of-fe-and-mn-promoters-on-the-tungstated-zirconia-catalyst-a-dft-study,
title = {Unraveling the effects of Fe and Mn promoters on the tungstated zirconia catalyst: A DFT study},
author = {Karina G. Madrigal-Carrillo and Juan I. Rodríguez and Martha L. Hernández-Pichardo and Elisa Jimenez-Izal},
journal = {Applied Surface Science},
year = {2022},
volume = {599},
pages = {154052},
doi = {10.1016/j.apsusc.2022.154052},
url = {https://doi.org/10.1016/j.apsusc.2022.154052},
}