(† = equal contribution, * = corresponding author)

2022

A unifying mechanism for cation effect modulating C1 and C2 productions from CO2 electroreduction


Alkali Metal Ion Substituted Carboxymethyl Cellulose as Anode Polymeric Binders for Rapidly Chargeable Lithium-Ion Batteries


Boosting Electrochemical CO2 Reduction to Methane via Tuning Oxygen Vacancy Concentration and Surface Termination on a Copper/Ceria Catalyst


GW Quasiparticle Energies and Bandgaps of Two-Dimensional Materials Immersed in Water


Implicit Solvation Methods for Catalysis at Electrified Interfaces


Strained Pt(221) Facet in a PtCo@Pt-Rich Catalyst Boosts Oxygen Reduction and Hydrogen Evolution Activity


Using pH Dependence to Understand Mechanisms in Electrochemical CO Reduction


On the importance of the electric double layer structure in aqueous electrocatalysis

2021


Tunable Product Selectivity in Electrochemical CO2 Reduction on Well-Mixed Ni-Cu Alloys


Design of less than 1 nm Scale Spaces on SnO2 Nanoparticles for High‐Performance Electrochemical CO2 Reduction


Selective electrochemical reduction of nitric oxide to hydroxylamine by atomically dispersed iron catalyst

2020

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


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

2019

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

before 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