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Federico Calle‐Vallejo

University of the Basque Country UPV/EHU

65H-index
195Paper Count
2.6WCitation Count
Published Papers 109
Publication Date
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The Intricate Sabatier Optimality of Anion Electroreduction and Its Consequences for Nitrate Reduction
errAngewandte Chemie International Edition
IF16.9
err2026-05-07
err0
errOAAI
errMattia Salomone; Ioannis Katsounaros; Federico Calle-Vallejo
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Acetylene-linked triaryl 2D covalent organic frameworks as electrocatalysts for hydrogen evolution
errMaterials Today Energy
IF8.6
err2025-12-27
err0
errOAAI
errRicardo Urrego-Ortiz; Stefan T. Bromley; Federico Calle-Vallejo
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Correcting Errors in the Adsorbed Intermediates of CO2 Electroreduction
errCARBON ENERGY
IF24.2
err2025-11-01
err0
errOAAI
errUrrego-Ortiz, Ricardo; Zhong, Camberly Schaffer; Teh, Wei Jie; Builes, Santiago; Yeo, Boon Siang; Calle-Vallejo, Federico
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Improving the Description of Adsorbed Hydroxyl to Make Predictive Catalytic Activity Models
errACS Catalysis
IF13.1
err2025-10-16
err0
PREAI
errEleonora Romeo; Futian You; Haibin Ma; Francesc Illas; Boon Siang Yeo; Federico Calle-Vallejo
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The electrochemical symmetries of the oxygen reduction and evolution reactions are connected
errElectrochimica Acta
IF5.6
err2025-09-17
err0
errOAAI
errIratxe Aguado-Ruiz; Ricardo Urrego-Ortiz; Federico Calle-Vallejo
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Finding Catalyst Design Principles for Oxygen Evolution using High-Throughput Optimizations and Electrochemical Symmetry
errChemSusChem
IF6.6
err2025-08-26
err0
errOAAI
errNerea Azcona-Aliende; Paramaconi Rodriguez; Federico Calle-Vallejo
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Abridging the modeling of CO oxidation on single-atom catalysts: From microkinetics to descriptor-based analysis
errJournal of Catalysis
IF6.5
err2025-07-02
err0
errOAAI
errHai-Yan Su; Keju Sun; Xiufang Ma; Xiangxuan Huang; Junquan Feng; Federico Calle-Vallejo
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errSave
Causal Relationship between Electrochemical Symmetry and Thermodynamic Overpotential
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-03-01
err0
PREAI
errCalle-Vallejo, Federico
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Halogen Thermochemistry Assessed with Density Functional Theory: Systematic Errors, Swift Corrections and Effects on Electrochemistry
errCHEMSUSCHEM
IF6.6
err2024-12-09
err0
PREAI
errZapata, Jhon Faber; Urrego-Ortiz, Ricardo; Builes, Santiago; Calle-Vallejo, Federico
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errSave
Adsorbate coverage effects on the electroreduction of CO to acetate
errAPPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
IF21.1
err2024-09-01
err1
errOAAI
errYou, Futian; Urrego-Ortiz, Ricardo; Pan, Steve Shao Wei; Calle-Vallejo, Federico; Yeo, Boon Siang
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Error Awareness in the Volcano Plots of Oxygen Electroreduction to Hydrogen Peroxide
errCHEMSUSCHEM
IF6.6
err2024-07-31
err2
errOAAI
errUrrego-Ortiz, Ricardo; Almeida, Michell O.; Calle-Vallejo, Federico
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Rationally designed Ru catalysts supported on TiN for highly efficient and stable hydrogen evolution in alkaline conditions
errNATURE COMMUNICATIONS
IF15.7
err2024-07-29
err9
errOAAI
errZhao, Jia; Urrego-Ortiz, Ricardo; Liao, Nan; Calle-Vallejo, Federico; Luo, Jingshan
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errSave
Cation Effects on the Adsorbed Intermediates of CO2 Electroreduction Are Systematic and Predictable
errACS CATALYSIS
IF13.1
err2024-05-23
err2
errOAAI
errSargeant, Elizabeth; Rodriguez, Paramaconi; Calle-Vallejo, Federico
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What we talk about when we talk about breaking scaling relations
errAPPLIED PHYSICS REVIEWS
IF11.6
err2024-04-09
err1
errOAAI
errCalle-Vallejo, Federico
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Low CO2 mass transfer promotes methanol and formaldehyde electrosynthesis on cobalt phthalocyanine
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2024-01-01
err0
errOAAI
errZhang, Jie; Pham, Thi Ha My; Xi, Shibo; Zhong, Liping; Liem, David; You, Futian; Rowley, Ben; Ganganahalli, Ramesha; Calle-Vallejo, Federico; Yeo, Boon Siang
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Dy2NiRuO6 perovskite with high activity and durability for the oxygen evolution reaction in acidic electrolyte
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2024-01-01
err0
errOAAI
errRodriguez-Garcia, Isabel; de la Fuente, Jose Luis Gomez; Galyamin, Dmitry; Tolosana-Moranchel, Alvaro; Kayser, Paula; Salam, Mohamed Abdel; Alonso, Jose Antonio; Calle-Vallejo, Federico; Rojas, Sergio; Retuerto, Maria
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Electrochemical hydrogenation of NO and CO: Differences and similarities from a computational standpoint
errCURRENT OPINION IN ELECTROCHEMISTRY
IF6.9
err2023-12-01
err0
errOAAI
errCalle-Vallejo, Federico
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errSave
Activity Trends for the Selective Oxidation of 2-Propanol to Acetone on Noble Metal Electrodes in Alkaline Electrolyte
errACS CATALYSIS
IF13.1
err2023-10-30
err5
PREAI
errMangoufis-Giasin, Iosif; Fusek, Lukas; Yang, Tian; Khanipour, Peyman; Brummel, Olaf; Libuda, Jorg; Mayrhofer, Karl J. J.; Calle-Vallejo, Federico; Katsounaros, Ioannis
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Minimum conditions for accurate modeling of urea production via co-electrolysis
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2023-09-13
err7
errOAAI
errUrrego-Ortiz, Ricardo; Builes, Santiago; Illas, Francesc; Bromley, Stefan; Figueiredo, Marta Costa; Calle-Vallejo, Federico
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errSave
Influence of Copper Sites with Different Coordination on the Adsorption and Electroreduction of CO2 and CO
errACS CATALYSIS
IF13.1
err2023-08-08
err7
PREAI
errYou, Futian; Xi, Shibo; Ho, Jelynn Jie Ying; Calle-Vallejo, Federico; Yeo, Boon Siang
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errSave

Research Directions

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Co-authors
Cooperation Journals
J
Jens K. Nørskov
H-index: 221 · Papers: 892
M
Marc T. M. Koper
H-index: 141 · Papers: 644
J
J.L.G. Fierro
H-index: 118 · Papers: 1.4K
N
Nenad M. Marković
H-index: 115 · Papers: 405
T
Thomas F. Jaramillo
H-index: 111 · Papers: 582
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