(† = equal contribution, * = corresponding author)



An implicit electrolyte model for plane wave density functional theory exhibiting nonlinear response and a nonlocal cavity definition

Heterogeneous Catalyst as a Functional Substrate Governing the Shape of Electrochemical Precipitates in Oxygen-Fueled Rechargeable Batteries

Trace-Level Cobalt Dopants Enhance CO2 Electroreduction and Ethylene Formation on Copper

Tuning the C1/C2 Selectivity of Electrochemical CO2 Reduction on Cu-CeO2 Nanorods by Oxidation State Control

Active and stable PtP2-based electrocatalysts solve the phosphate poisoning issue of high temperature fuel cells


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


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


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


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