Non-precious electrocatalysts drive hydrogen production from water

Advances in Electrocatalysts for Fuel Cell and Water Electrolysis

Losing Electronic Identity, Gaining Stability: Minimal Pd, Maximal Durability via LDOS Engineering

Designing High-Efficiency Ethanol Electro-Oxidation Catalysts

Molecular Enhancement Catalysis in Water Electrolysis

Microscopic Scaling Relation of Ti-Based Catalysts in De/Hydrogenation Reactions of Mg/MgH₂

Atomic level material design and the analysis of hydrogen production mechanism

Interfacial component coupling effects induce electron redistribution for energy-saving hydrogen production at ampere-level current densities

Determining Active Sites in Heterogeneous Catalysis

Infrared Spectroscopy of Neutral Clusters Based on the Vacuum Ultraviolet Free Electron Laser

Toward rational design of materials by machine learning

Scientific Discovery based on Generalized Global Neural Network Potential

Cross-scale Spatiotemporal Kinetic Modeling of Catalytic Energy Conversion Systems: Zeolite Catalysis as a Case Study

AI-Driven Theoretical Insights into Interfacial Catalysis for CO₂ Conversion

Design of Electron-Rich Materials for Catalytic Ammonia Synthesis

Machine-Learning Potentials and Long Time Scale Dynamic Simulations

Oxygen Vacancy for Selective Conversion from CO₂ Reduction Catalyzed by Heteronuclear Dual-Metal Sites

Computational Design and Lab Automation for Materials Discovery

Multiscale solution for structural disorder in solid ionics