Publicaciones en colaboración con investigadoras/es de Universitat de Barcelona (153)

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

    ChemSusChem

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

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

  5. Modulated spin dynamics of [Co2] coordination helicates via differential strand composition

    Dalton Transactions

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

    Nature Communications, Vol. 15, Núm. 1

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. Four-Step Synthesis of (−)-4-epi-Presilphiperfolan-8α-ol by Intramolecular Iron Hydride Atom Transfer-Mediated Ketone-Alkene Coupling and Studies to Access trans-Hydrindanols with a Botryane Scaffold

    Chemistry - A European Journal, Vol. 29, Núm. 15

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

    Communications Chemistry, Vol. 6, Núm. 1

  9. Prediction of adverse neonatal outcome at admission for early-onset preeclampsia with severe features

    Pregnancy Hypertension, Vol. 32, pp. 64-69

  10. 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