Federico Calle-Vallejo

ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 37

Top Venues

ACS applied materials & interfaces

Chemical science

ACS catalysis

Nature communications

Universitat de Barcelona

Danmarks Tekniske Universitet (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universitat de Barcelona

Spain

Ramón y Cajal researcher

Universiteit Leiden

Netherlands

Research fellow :: Leiden Institute of Chemistry

École normale supérieure de Lyon

France

Associate researcher :: Laboratoire de Chimie

Universiteit Leiden

Netherlands

Postdoctoral researcher :: Leiden Institute of Chemistry

Education History

Danmarks Tekniske Universitet

Denmark

PHD :: Physics

Publications

Jia Zhao, Ricardo Urrego-Ortiz, Nan Liao, Federico Calle-Vallejo, Jingshan Luo
Rationally designed Ru catalysts supported on TiN for highly efficient and stable hydrogen evolution in alkaline conditions. Nature communications 15 (1) (2024)
Jia Zhao, Ricardo Urrego-Ortiz, Nan Liao, Federico Calle-Vallejo, Jingshan Luo
Rationally designed Ru catalysts supported on TiN for highly efficient and stable hydrogen evolution in alkaline conditions. Nature communications 15 (1) (2024)
Elizabeth Sargeant, Paramaconi Rodriguez, Federico Calle-Vallejo
Cation Effects on the Adsorbed Intermediates of CO 2 Electroreduction Are Systematic and Predictable. ACS catalysis 14 (11) (2024)
Ricardo Urrego-Ortiz, Michell O Almeida, Federico Calle-Vallejo
Error Awareness in the Volcano Plots of Oxygen Electroreduction to Hydrogen Peroxide. ChemSusChem (2024)
Jia Zhao, Ricardo Urrego-Ortiz, Nan Liao, Federico Calle-Vallejo, Jingshan Luo
Rationally designed Ru catalysts supported on TiN for highly efficient and stable hydrogen evolution in alkaline conditions. Nature communications 15 (1) (2024)
Elizabeth Sargeant, Paramaconi Rodriguez, Federico Calle-Vallejo
Cation Effects on the Adsorbed Intermediates of CO 2 Electroreduction Are Systematic and Predictable. ACS catalysis 14 (11) (2024)
Selwyn Hanselman, Federico Calle-Vallejo, Marc T M Koper
Computational description of surface hydride phases on Pt(111) electrodes. The Journal of chemical physics 158 (1) (2023)
Eleonora Romeo, María Fernanda Lezana-Muralles, Francesc Illas, Federico Calle-Vallejo
Extracting Features of Active Transition Metal Electrodes for NO Electroreduction with Catalytic Matrices. ACS applied materials & interfaces 15 (18) (2023)
Selwyn Hanselman, Marc T M Koper, Federico Calle-Vallejo
Using micro-solvation and generalized coordination numbers to estimate the solvation energies of adsorbed hydroxyl on metal nanoparticles. Physical chemistry chemical physics : PCCP (2023)
Selwyn Hanselman, Marc T M Koper, Federico Calle-Vallejo
Using micro-solvation and generalized coordination numbers to estimate the solvation energies of adsorbed hydroxyl on metal nanoparticles. Physical chemistry chemical physics : PCCP 25 (4) (2023)
Eleonora Romeo, María Fernanda Lezana-Muralles, Francesc Illas, Federico Calle-Vallejo
Extracting Features of Active Transition Metal Electrodes for NO Electroreduction with Catalytic Matrices. ACS applied materials & interfaces (2023)
Eleonora Romeo, María Fernanda Lezana-Muralles, Francesc Illas, Federico Calle-Vallejo
Extracting Features of Active Transition Metal Electrodes for NO Electroreduction with Catalytic Matrices. ACS applied materials & interfaces 15 (18) (2023)
Selwyn Hanselman, Marc T M Koper, Federico Calle-Vallejo
Using micro-solvation and generalized coordination numbers to estimate the solvation energies of adsorbed hydroxyl on metal nanoparticles. Physical chemistry chemical physics : PCCP 25 (4) (2023)
Eleonora Romeo, María Fernanda Lezana-Muralles, Francesc Illas, Federico Calle-Vallejo
Extracting Features of Active Transition Metal Electrodes for NO Electroreduction with Catalytic Matrices. ACS applied materials & interfaces 15 (18) (2023)
Eleonora Romeo, Francesc Illas, Federico Calle-Vallejo
Evaluating Adsorbate-Solvent Interactions: Are Dispersion Corrections Necessary? The journal of physical chemistry. C, Nanomaterials and interfaces 127 (21) (2023)
Ricardo Urrego-Ortiz, Santiago Builes, Francesc Illas, Stefan T Bromley, Marta Costa Figueiredo, Federico Calle-Vallejo
Minimum conditions for accurate modeling of urea production via co-electrolysis. Communications chemistry 6 (1) (2023)
Eleonora Romeo, Francesc Illas, Federico Calle-Vallejo
A general but still unknown characteristic of active oxygen evolution electrocatalysts. Chemical science 14 (13) (2023)
Federico Calle-Vallejo
The ABC of Generalized Coordination Numbers and Their Use as a Descriptor in Electrocatalysis. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2023)
Eleonora Romeo, María Fernanda Lezana-Muralles, Francesc Illas, Federico Calle-Vallejo
Extracting Features of Active Transition Metal Electrodes for NO Electroreduction with Catalytic Matrices. ACS applied materials & interfaces 15 (18) (2023)
Ricardo Urrego-Ortiz, Santiago Builes, Federico Calle-Vallejo
Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models. ACS catalysis 12 (8) (2022)
Andreas M Reichert, Oriol Piqué, Walter A Parada, Ioannis Katsounaros, Federico Calle-Vallejo
Mechanistic insight into electrocatalytic glyoxal reduction on copper and its relation to CO 2 reduction. Chemical science 13 (37) (2022)
Hai-Yan Su, Keju Sun, Xiang-Kui Gu, Sha-Sha Wang, Jing Zhu, Wei-Xue Li, Chenghua Sun, Federico Calle-Vallejo
Finding Key Factors for Efficient Water and Methanol Activation at Metals, Oxides, MXenes, and Metal/Oxide Interfaces. ACS catalysis 12 (2) (2022)
Alvaro Brito-Ravicini, Federico Calle-Vallejo
Interplaying coordination and ligand effects to break or make adsorption-energy scaling relations. Exploration (Beijing, China) 2 (2) (2022)
Ricardo Urrego-Ortiz, Santiago Builes, Federico Calle-Vallejo
Automated versus Chemically Intuitive Deconvolution of Density Functional Theory (DFT)-Based Gas-Phase Errors in Nitrogen Compounds. Industrial & engineering chemistry research 61 (36) (2022)
Oriol Piqué, Qi Hang Low, Albertus Denny Handoko, Boon Siang Yeo, Federico Calle-Vallejo
Selectivity Map for the Late Stages of CO and CO2 Reduction to C2 Species on Copper Electrodes. Angewandte Chemie (International ed. in English) 60 (19) (2021)
Hai-Yan Su, Xiufang Ma, Keju Sun, Chenghua Sun, Yongjun Xu, Federico Calle-Vallejo
Trends in C-O and N-O bond scission on rutile oxides described using oxygen vacancy formation energies. Chemical science 11 (16) (2020)
Qi Hang Low, Nicholas Wei Xian Loo, Federico Calle-Vallejo, Boon Siang Yeo
Enhanced Electroreduction of Carbon Dioxide to Methanol Using Zinc Dendrites Pulse-Deposited on Silver Foam. Angewandte Chemie (International ed. in English) 58 (8) (2019)
Maria Retuerto, Federico Calle-Vallejo, Laura Pascual, Gunnar Lumbeeck, María Teresa Fernandez-Diaz, Mark Croft, Jagannatha Gopalakrishnan, Miguel A Peña, Joke Hadermann, Martha Greenblatt, Sergio Rojas
La1.5Sr0.5NiMn0.5Ru0.5O6 Double Perovskite with Enhanced ORR/OER Bifunctional Catalytic Activity. ACS applied materials & interfaces 11 (24) (2019)
Laura P Granda-Marulanda, Santiago Builes, Marc T M Koper, Federico Calle-Vallejo
Influence of Van der Waals Interactions on the Solvation Energies of Adsorbates at Pt-Based Electrocatalysts. Chemphyschem : a European journal of chemical physics and physical chemistry 20 (22) (2019)
Zheng-Da He, Selwyn Hanselman, Yan-Xia Chen, Marc T M Koper, Federico Calle-Vallejo
Importance of Solvation for the Accurate Prediction of Oxygen Reduction Activities of Pt-Based Electrocatalysts. The journal of physical chemistry letters 8 (10) (2019)
Marlon Rück, Aliaksandr S Bandarenka, Federico Calle-Vallejo, Alessio Gagliardi
Fast identification of optimal pure platinum nanoparticle shapes and sizes for efficient oxygen electroreduction. Nanoscale advances 1 (8) (2019)
Batyr Garlyyev, Johannes Fichtner, Oriol Piqué, Oliver Schneider, Aliaksandr S Bandarenka, Federico Calle-Vallejo
Revealing the nature of active sites in electrocatalysis. Chemical science 10 (35) (2019)
Marlon Rück, Aliaksandr S Bandarenka, Federico Calle-Vallejo, Alessio Gagliardi
Oxygen Reduction Reaction: Rapid Prediction of Mass Activity of Nanostructured Platinum Electrocatalysts. The journal of physical chemistry letters 9 (15) (2018)
Federico Calle-Vallejo, Aliaksandr S Bandarenka
Enabling Generalized Coordination Numbers to Describe Strain Effects. ChemSusChem 11 (11) (2018)
Thomas J P Hersbach, Ian T McCrum, Dimitra Anastasiadou, Rianne Wever, Federico Calle-Vallejo, Marc T M Koper
Alkali Metal Cation Effects in Structuring Pt, Rh, and Au Surfaces through Cathodic Corrosion. ACS applied materials & interfaces 10 (45) (2018)
Elena Pérez-Gallent, Giulia Marcandalli, Marta Costa Figueiredo, Federico Calle-Vallejo, Marc T M Koper
Structure- and Potential-Dependent Cation Effects on CO Reduction at Copper Single-Crystal Electrodes. Journal of the American Chemical Society 139 (45) (2017)
Hai-Yan Su, Keju Sun, Wei-Qi Wang, Zhenhua Zeng, Federico Calle-Vallejo, Wei-Xue Li
Establishing and Understanding Adsorption-Energy Scaling Relations with Negative Slopes. The journal of physical chemistry letters 7 (24) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Federico Calle-Vallejo