Publicaciones en colaboración con investigadoras/es de Universitat de Barcelona (63)

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

    Nature Communications, Vol. 14, Núm. 1

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

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

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

    Advanced Functional Materials, Vol. 33, Núm. 7

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

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

  6. 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

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

    Communications Chemistry, Vol. 6, Núm. 1

  8. 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

  5. Impact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models

    ACS Catalysis, Vol. 12, Núm. 8, pp. 4784-4791

  6. Interplaying coordination and ligand effects to break or make adsorption-energy scaling relations

    Exploration, Vol. 2, Núm. 2

  7. Mechanistic insight into electrocatalytic glyoxal reduction on copper and its relation to CO2 reduction

    Chemical Science, Vol. 13, Núm. 37, pp. 11205-11214

  8. On the shifting peak of volcano plots for oxygen reduction and evolution

    Electrochimica Acta, Vol. 426

  9. Revealing the Nature of Active Sites on Pt-Gd and Pt-Pr Alloys during the Oxygen Reduction Reaction

    ACS Applied Materials and Interfaces, Vol. 14, Núm. 17, pp. 19604-19613

  10. The Role of Undercoordinated Sites on Zinc Electrodes for CO2 Reduction to CO

    Advanced Functional Materials, Vol. 32, Núm. 23

  11. The bifunctional volcano plot: thermodynamic limits for single-atom catalysts for oxygen reduction and evolution

    Journal of Materials Chemistry A, Vol. 10, Núm. 11, pp. 5937-5941