Charge State Dependence of Phase Transition Catalysis of Dynamic Cu Clusters in CO2 Dissociation

Interfacial structures and acidity constants of goethite from first-principles Molecular Dynamics simulations

Substrate strain tunes operando geometric distortion and oxygen reduction activity of CuN2C2 single-atom sites

The energetics of electron and proton transfer to CO2 in aqueous solution

Linear Correlation between Water Adsorption Energies and Volta Potential Differences for Metal/water Interfaces

Modeling electrified metal/water interfaces from ab initio molecular dynamics: Structure and Helmholtz capacitance

Modeling Electrified Pt(111)-Had/Water Interfaces from Ab Initio Molecular Dynamics

Initial Stages of Oxidation Reactions of Ethylene Carbonate and Fluoroethylene Carbonate on LixCoO2 Surfaces: A DFT Study

Celebrating a Century of Excellence in Chemistry at Xiamen University

On the centenary glory of the spirit of Tan Kah Kee, the Chemistry of Xiamen University ready to set sail for the new 100 years

The Effect of Tuning the Coordination Sphere of Iron Complexes for the Oxygen Reduction Reaction in Acidic Media

Deep potential generation scheme and simulation protocol for the Li10GeP2S12-type superionic conductors

Atomically thin photoanode of InSe/graphene heterostructure

Effects of Adsorbed OH on Pt(100)/Water Interfacial Structures and Potential

Face-centered cubic structured RuCu hollow urchin-like nanospheres enable remarkable hydrogen evolution catalysis

Surface Acidity and As(V) Complexation of Iron Oxyhydroxides: Insights from First-Principles Molecular Dynamics Simulations

Ultralong-Lifespan Magnesium Batteries Enabled by the Synergetic Manipulation of Oxygen Vacancies and Electronic Conduction

Origin of the Adsorption-State-Dependent Photoactivity of Methanol on TiO2(110)

Facilitating the Deprotonation of OH to O through Fe4+-Induced States in Perovskite LaNiO3 Enables a Fast Oxygen Evolution Reaction

Unravelling the Fast Alkali-Ion Dynamics in Paramagnetic Battery Materials Combined with NMR and Deep-Potential Molecular Dynamics Simulation

Recent Progress toward Ab Initio Modeling of Electrocatalysis

Library Creation of Ultrasmall Multi-metallic Nanoparticles Confined in Mesoporous MFI Zeolites

Size-Sensitive Dynamic Catalysis of Subnanometer Cu Clusters in CO2 Dissociation

Atomic Scale Tracking of Single Layer Oxide Formation: Self-Peeling and Phase Transition in Solution

Origin of Asymmetric Electric Double Layers at Electrified Oxide/Electrolyte Interfaces

Recent progress on multiscale modeling of electrochemistry

Hexagonal Nickel as a Highly Durable and Active Catalyst for Hydrogen Evolution