Substantial improvement of electrocatalytic predictions by systematic assessment of solvent effects on adsorption energies
Alejandra Rendón-Calle, Santiago Builes, Federico Calle‐Vallejo
Topics & Concepts
SolvationElectrocatalystHydrogen bondSolventAdsorptionMoleculeAqueous solutionChemistryChemical physicsSolvent effectsComputational chemistrySolvent modelsSolvation shellMaterials scienceElectrochemistryPhysical chemistryElectrodeOrganic chemistryCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionElectrochemical Analysis and Applications