Recommended values of clean metal surface work functions

• Facet-Resolved Electric Double Layer of Polycrystalline Gold

  2026 JACS Au article Chemistry Electrostatics and Colloid Interactions Open access

  1

  citations
• Assessing the potential of zero charge in ab initio molecular dynamics simulations

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

  2

  citations
• Long-Range Redox and Water Activation at Metal–Water Interfaces with Ferroelectric Ordering

  2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

  2

  citations
• Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals

  2024 The Journal of Physical Chemistry Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access

  14

  citations
• Electric Double Layer Effects in Electrocatalysis: Insights from Ab Initio Simulation and Hierarchical Continuum Modeling

  2023 JACS Au article Energy Electrocatalysts for Energy Conversion Open access

  193

  citations
• Design Principles for Metastable Standing Molecules

  2022 The Journal of Physical Chemistry C article Engineering Surface Chemistry and Catalysis Open access

  5

  citations
• A simple method to calculate solution-phase free energies of charged species in computational electrocatalysis

  2021 Journal of Physics Condensed Matter article Energy Electrocatalysts for Energy Conversion Open access

  16

  citations
• Computational approaches to dissociative chemisorption on metals: towards chemical accuracy

  2021 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  96

  citations

8 results