Rafael L. H. Freire

Comparison of the Performance of van der Waals Dispersion Functionals in the Description of Water and Ethanol on Transition Metal Surfaces

Rafael L. H. Freire, Diego Guedes‐Sobrinho, A. Kiejna et al. · The Journal of Physical Chemistry C · 2018 · 55 citations · Full text

Natural Sciences, Chemistry, Physics +17

The role of charge transfer in the oxidation state change of Ce atoms in the TM₁₃–CeO₂(111) systems (TM = Pd, Ag, Pt, Au): a DFT + U investigation

Polina Tereshchuk, Rafael L. H. Freire, Crina G. Ungureanu et al. · Physical Chemistry Chemical Physics · 2015 · 49 citations

Natural Sciences, Chemistry, Materials Science +17

Adsorption of Rh, Pd, Ir, and Pt on the Au(111) and Cu(111) Surfaces: A Density Functional Theory Investigation

Rafael L. H. Freire, A. Kiejna, Juarez L. F. Da Silva · The Journal of Physical Chemistry C · 2014 · 46 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Adsorption of water and ethanol on noble and transition-metal substrates: a density functional investigation within van der Waals corrections

Rafael L. H. Freire, A. Kiejna, Juarez L. F. Da Silva · Physical Chemistry Chemical Physics · 2016 · 36 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

The role of the CO adsorption on Pt monolayers supported on flat and stepped Au surfaces: a density functional investigation

Polina Tereshchuk, Rafael L. H. Freire, Juarez L. F. Da Silva · RSC Advances · 2014 · 19 citations · Full text

Natural Sciences, Chemistry, Materials Science +17