Implicit Solvation Methods for Catalysis at Electrified Interfaces

• Benchmarking Orbital-Free Density-Potential Functional Theory of Electrified Metal-Solution Interfaces

  2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

  1

  citations
• 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
• Density-Potential Functional Theoretic (DPFT) Schemes of Modeling Reactive Solid–Liquid Interfaces

  2025 ACS Physical Chemistry Au article Physics and Astronomy Advanced Chemical Physics Studies Open access

  3

  citations
• Theory of Electro-Ionic Perturbations at Supported Electrocatalyst Nanoparticles

  2025 Physical Review Letters article Energy Electrocatalysts for Energy Conversion Open access

  9

  citations
• Dielectric profile at the Pt(111)/water interface

  2025 The Journal of Chemical Physics article Chemistry Electrostatics and Colloid Interactions Open access

  15

  citations
• Incorporating Electrolyte Correlation Effects into Variational Models of Electrochemical Interfaces

  2024 The Journal of Physical Chemistry Letters article Chemistry Electrostatics and Colloid Interactions Open access

  8

  citations
• 2023 Roadmap on molecular modelling of electrochemical energy materials

  2023 Journal of Physics Energy article Materials Science Machine Learning in Materials Science Open access

  40

  citations
• High-Throughput Virtual Screening of Quinones for Aqueous Redox Flow Batteries: Status and Perspectives

  2022 Batteries article Engineering Advanced battery technologies research Open access cited by 1 patent

  18

  citations
• Enhancing the connection between computation and experiments in electrocatalysis

  2022 Nature Catalysis article Energy Electrocatalysts for Energy Conversion Open access

  122

  citations

9 results