Molecular adsorption at Pt(111). How accurate are DFT functionals?

• Electrochemical amination of acetone using Ag as cathode: mechanism and role of Pb impurities for hydrogen transfer

  2026 Catalysis Science & Technology article Energy Electrocatalysts for Energy Conversion

  1

  citations
• Probing the Electric Double-Layer Capacitance to Understand the Reaction Environment in Conditions of Electrochemical Amination of Acetone

  2025 ACS Applied Materials & Interfaces article Energy Electrocatalysts for Energy Conversion Open access

  14

  citations
• Unraveling the Origin of the Repulsive Interaction between Hydrogen Adsorbates on Platinum Single-Crystal Electrodes

  2024 The Journal of Physical Chemistry C article Energy Electrocatalysts for Energy Conversion Open access

  13

  citations
• Origin of copper dissolution under electrocatalytic reduction conditions involving amines

  2024 Chemical Science article Energy Electrocatalysts for Energy Conversion Open access

  15

  citations
• Rationalizing the mechanism of ethanol dehydrogenation on Pt/C

  2023 Surface Science article Materials Science Catalytic Processes in Materials Science

  3

  citations
• Hubbard U parameters for transition metals from first principles

  2022 Physical review. B./Physical review. B article Physics and Astronomy Advanced Chemical Physics Studies

  154

  citations
• Assessing density functionals for describing methane dissociative chemisorption on Pt(110)-(2×1) surface

  2021 Chinese Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  6

  citations

7 results