Facultad de Química
Centro
Universitat de Barcelona
Barcelona, EspañaPublicaciones en colaboración con investigadoras/es de Universitat de Barcelona (174)
2024
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Adsorbate coverage effects on the electroreduction of CO to acetate
Applied Catalysis B: Environmental, Vol. 352
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Modulated spin dynamics of [Co2] coordination helicates via differential strand composition
Dalton Transactions
2023
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A general but still unknown characteristic of active oxygen evolution electrocatalysts
Chemical Science, Vol. 14, Núm. 13, pp. 3622-3629
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Active and durable R2MnRuO7 pyrochlores with low Ru content for acidic oxygen evolution
Nature Communications, Vol. 14, Núm. 1
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Energetics and Kinetics of Hydrogen Electrosorption on a Graphene-Covered Pt(111) Electrode
JACS Au, Vol. 3, Núm. 2, pp. 526-535
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Enhanced Charge Transfer Kinetics for the Electroreduction of Carbon Dioxide on Silver Electrodes Functionalized with Cationic Surfactants
Advanced Functional Materials, Vol. 33, Núm. 7
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Evaluating Adsorbate-Solvent Interactions: Are Dispersion Corrections Necessary?
Journal of Physical Chemistry C, Vol. 127, Núm. 21, pp. 10134-10139
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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
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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
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Minimum conditions for accurate modeling of urea production via co-electrolysis
Communications Chemistry, Vol. 6, Núm. 1
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Prediction of adverse neonatal outcome at admission for early-onset preeclampsia with severe features
Pregnancy Hypertension, Vol. 32, pp. 64-69
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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
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A trade-off between ligand and strain effects optimizes the oxygen reduction activity of Pt alloys
Energy and Environmental Science, Vol. 4
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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
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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
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Gas-Phase Errors Affect DFT-Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide
ChemElectroChem, Vol. 9, Núm. 12
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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
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Interplaying coordination and ligand effects to break or make adsorption-energy scaling relations
Exploration, Vol. 2, Núm. 2
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Magnetoresistive Single-Molecule Junctions: the Role of the Spinterface and the CISS Effect
Israel Journal of Chemistry, Vol. 62, Núm. 11-12
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Mechanistic insight into electrocatalytic glyoxal reduction on copper and its relation to CO2 reduction
Chemical Science, Vol. 13, Núm. 37, pp. 11205-11214