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Francesco Nattino

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Francesco Nattino

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Operando XANES from first-principles and its application to iridium oxide

Role of OH Intermediates during the Au Oxide Electro-Reduction at Low pH Elucidated by Electrochemical Surface-Enhanced Raman Spectroscopy and Implicit Solvent Density Functional Theory

Continuum models of the electrochemical diffuse layer in electronic-structure calculations

Solvent-Aware Interfaces in Continuum Solvation

Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations

An In Situ Surface-Enhanced Infrared Absorption Spectroscopy Study of Electrochemical CO2 Reduction: Selectivity Dependence on Surface C-Bound and O-Bound Reaction Intermediates

HOD on Ni(111): Ab Initio molecular dynamics prediction of molecular beam experiments

Surface Reaction Barriometry: Methane Dissociation on Flat and Stepped Transition-Metal Surfaces

Ab Initio Molecular Dynamics Calculations versus Quantum-State- Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas−Surface Reaction