Publicaciones (135) Publicaciones de FEDERICO CALLE VALLEJO

2024

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

    Applied Catalysis B: Environmental, Vol. 352

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

  8. Energetics and Kinetics of Hydrogen Electrosorption on a Graphene-Covered Pt(111) Electrode

    JACS Au, Vol. 3, Núm. 2, pp. 526-535

  9. Enhanced Charge Transfer Kinetics for the Electroreduction of Carbon Dioxide on Silver Electrodes Functionalized with Cationic Surfactants

    Advanced Functional Materials, Vol. 33, Núm. 7

  10. Evaluating Adsorbate-Solvent Interactions: Are Dispersion Corrections Necessary?

    Journal of Physical Chemistry C, Vol. 127, Núm. 21, pp. 10134-10139

  11. Extracting Features of Active Transition Metal Electrodes for NO Electroreduction with Catalytic Matrices

    ACS Applied Materials and Interfaces, Vol. 15, Núm. 18, pp. 22176-22183

  12. Influence of Copper Sites with Different Coordination on the Adsorption and Electroreduction of CO2 and CO

    ACS Catalysis, Vol. 13, Núm. 16, pp. 11136-11143

  13. Minimum conditions for accurate modeling of urea production via co-electrolysis

    Communications Chemistry, Vol. 6, Núm. 1

  14. The ABC of Generalized Coordination Numbers and Their Use as a Descriptor in Electrocatalysis

    Advanced Science, Vol. 10, Núm. 20

  15. Using micro-solvation and generalized coordination numbers to estimate the solvation energies of adsorbed hydroxyl on metal nanoparticles

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 4, pp. 3211-3219

2022

  1. A trade-off between ligand and strain effects optimizes the oxygen reduction activity of Pt alloys

    Energy and Environmental Science, Vol. 4

  2. Automated versus Chemically Intuitive Deconvolution of Density Functional Theory (DFT)-Based Gas-Phase Errors in Nitrogen Compounds

    Industrial and Engineering Chemistry Research, Vol. 61, Núm. 36, pp. 13375-13382

  3. Finding Key Factors for Efficient Water and Methanol Activation at Metals, Oxides, MXenes, and Metal/Oxide Interfaces

    ACS Catalysis, Vol. 12, Núm. 2, pp. 1237-1246

  4. Gas-Phase Errors Affect DFT-Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide

    ChemElectroChem, Vol. 9, Núm. 12