Publications (147) FEDERICO CALLE VALLEJO publications View referenced research data.

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2025

  1. A computational view on the thermochemical and electrochemical stability of ruthenium oxides

    Journal of Materials Chemistry A

  2. Causal Relationship between Electrochemical Symmetry and Thermodynamic Overpotential

    Journal of Physical Chemistry C

  3. Causal Relationship between Electrochemical Symmetry and Thermodynamic Overpotential

    Journal of Physical Chemistry C, Vol. 129, Núm. 11, pp. 5312-5317

2024

  1. Adsorbate coverage effects on the electroreduction of CO to acetate

    Applied Catalysis B: Environmental, Vol. 352

  2. Cation Effects on the Adsorbed Intermediates of CO2 Electroreduction Are Systematic and Predictable

    ACS Catalysis , Vol. 14, Núm. 11, pp. 8814-8822

  3. Dy2NiRuO6 perovskite with high activity and durability for the oxygen evolution reaction in acidic electrolyte

    Journal of Materials Chemistry A, Vol. 12, Núm. 27, pp. 16854-16862

  4. Error Awareness in the Volcano Plots of Oxygen Electroreduction to Hydrogen Peroxide

    ChemSusChem, Vol. 17, Núm. 23

  5. Gas-phase errors in computational electrocatalysis: a review

    EES Catalysis, Vol. 2, Núm. 1, pp. 157-179

  6. Halogen Thermochemistry Assessed with Density Functional Theory: Systematic Errors, Swift Corrections and Effects on Electrochemistry

    ChemSusChem

  7. Low CO2 mass transfer promotes methanol and formaldehyde electrosynthesis on cobalt phthalocyanine

    Journal of Materials Chemistry A, Vol. 12, Núm. 45, pp. 31547-31556

  8. Rationally designed Ru catalysts supported on TiN for highly efficient and stable hydrogen evolution in alkaline conditions

    Nature Communications, Vol. 15, Núm. 1

  9. Selective electroreduction of acetylene to 1,3-butadiene on iodide-induced Cuδ+–Cu0 sites

    Nature Catalysis, Vol. 7, Núm. 12, pp. 1382-1393

  10. What we talk about when we talk about breaking scaling relations

    Applied Physics Reviews, Vol. 11, Núm. 2

2023

  1. A general but still unknown characteristic of active oxygen evolution electrocatalysts

    Chemical Science, Vol. 14, Núm. 13, pp. 3622-3629

  2. A structure-sensitive descriptor for the design of active sites on MoS2 catalysts

    Catalysis Science and Technology, Vol. 13, Núm. 18, pp. 5290-5300

  3. Active and durable R2MnRuO7 pyrochlores with low Ru content for acidic oxygen evolution

    Nature Communications, Vol. 14, Núm. 1

  4. Activity Trends for the Selective Oxidation of 2-Propanol to Acetone on Noble Metal Electrodes in Alkaline Electrolyte

    ACS Catalysis, Vol. 13, Núm. 22, pp. 14562-14569

  5. Anodic and Cathodic Platinum Dissolution Processes Involve Different Oxide Species

    Angewandte Chemie - International Edition, Vol. 62, Núm. 34

  6. Computational description of surface hydride phases on Pt(111) electrodes

    Journal of Chemical Physics, Vol. 158, Núm. 1

  7. Electrochemical hydrogenation of NO and CO: Differences and similarities from a computational standpoint

    Current Opinion in Electrochemistry, Vol. 42