Publications

(† = equal contribution,
* = corresponding author)

Atomistic Insight into Cation Effects on Binding Energies in Cu-Catalyzed Carbon Dioxide Reduction


Thermal Transformation of Molecular Ni2+–N4 Sites for Enhanced CO2 Electroreduction Activity


Electric field mediated selectivity switching of electrochemical CO2 reduction from formate to CO on carbon supported Sn


Confined local oxygen gas promotes electrochemical water oxidation to hydrogen peroxide

2020

Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold


Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics


Practical Considerations for Continuum Models Applied to Surface Electrochemistry


A Two-Dimensional MoS2 Catalysis Transistor by Solid-State Ion Gating Manipulation and Adjustment (SIGMA)


Understanding cation effects in electrochemical CO2 reduction


Influence of Atomic Surface Structure on the Activity of Ag for the Electrochemical Reduction of CO2 to CO


Solvent–Adsorbate Interactions and Adsorbate-Specific Solvent Structure in Carbon Dioxide Reduction on a Stepped Cu Surface


Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models


Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme


pH effects on the electrochemical reduction of CO2 towards C2 products on stepped copper

2019

Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts



Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT