3 papers
physics.chem-ph2026
Multidimensional Design of Metal-Nitrogen-Carbon Electrocatalysts for Direct Propylene Epoxidation
Songbo Ye, Qingyuan Han, Jingwen Chi +6
Propylene oxide is a major industrial chemical whose production currently relies on hazardous chlorine- or peroxide-based oxidants. Direct electrochemical epoxidation using water a…
cs.AI2025
Multi-AI Agent Framework Reveals the "Oxide Gatekeeper" in Aluminum Nanoparticle Oxidation
Yiming Lu, Tingyu Lu, Di Zhang +2
Aluminum nanoparticles (ANPs) are among the most energy-dense solid fuels, yet the atomic mechanisms governing their transition from passivated particles to explosive reactants rem…
physics.chem-ph2024
The Key Steps and Distinct Performance Trends of Pyrrolic vs. Pyridinic M-N-C Catalysts in Electrocatalytic Nitrate Reduction
Qiuling Jiang, Mingyao Gu, Tianyi Wang +7
Electrochemical nitrate reduction reaction(NO3RR)offers a sustainable route for ambient ammonia synthesis. While metal-nitrogen-carbon (M-N-C) single-atom catalysts have emerged as…