F
Federico Calle-Vallejo
Researcher at University of Barcelona
Publications - 139
Citations - 16278
Federico Calle-Vallejo is an academic researcher from University of Barcelona. The author has contributed to research in topics: Catalysis & Chemistry. The author has an hindex of 46, co-authored 113 publications receiving 11239 citations. Previous affiliations of Federico Calle-Vallejo include University of Milan & Ruhr University Bochum.
Papers
More filters
Journal ArticleDOI
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
Isabela C. Man,Hai-Yan Su,Federico Calle-Vallejo,Heine Anton Hansen,José I. Martínez,Nilay İnoğlu,John R. Kitchin,Thomas F. Jaramillo,Jens K. Nørskov,Jan Rossmeisl +9 more
TL;DR: In this article, a large database of HO* and HOO* adsorption energies on oxide surfaces was used to analyze the reaction free energy diagrams of all the oxides in a general way.
Journal ArticleDOI
Catalysts and Reaction Pathways for the Electrochemical Reduction of Carbon Dioxide
TL;DR: This Perspective highlights several heterogeneous and molecular electrocatalysts for the reduction of CO2 and discusses the reaction pathways through which they form various products, including copper, a unique catalyst as it yields hydrocarbon products with acceptable efficiencies.
Journal ArticleDOI
Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels
Yuvraj Y. Birdja,Yuvraj Y. Birdja,Elena Pérez-Gallent,Marta C. Figueiredo,Marta C. Figueiredo,Adrien J. Göttle,Federico Calle-Vallejo,Federico Calle-Vallejo,Marc T. M. Koper +8 more
TL;DR: In this article, the authors review recent advances and challenges in the understanding of electrochemical CO2 reduction and discuss existing models for the initial activation of CO2 on the electrocatalyst and their importance for understanding selectivity.
Journal ArticleDOI
Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors
Federico Calle-Vallejo,Federico Calle-Vallejo,Jakub Tymoczko,Viktor Colic,Viktor Colic,Quang Huy Vu,Marcus D. Pohl,Karina Morgenstern,David Loffreda,Philippe Sautet,Wolfgang Schuhmann,Aliaksandr S. Bandarenka,Aliaksandr S. Bandarenka,Aliaksandr S. Bandarenka +13 more
TL;DR: “coordination-activity plots” are introduced that predict the geometric structure of optimal active sites on platinum (111) surface using a weighted average of surface coordination that includes second-nearest neighbors to assess optimal reactivity.
Journal ArticleDOI
Theoretical considerations on the electroreduction of CO to C2 species on Cu(100) electrodes
TL;DR: DFT calculations are used to construct a mechanism for the electrochemical reduction of CO on Cu(100) that agrees with the experimental observations of pH independence in the formation of C2 species.