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Open access Aug 2026

Side-Chain-Induced Interlayer Slipping in Metalloporphyrin COFs Enables Microenvironment and Spin-State Regulation for Photocatalytic CO2 Reduction.

Photocatalytic CO2 reduction (CO2RR) involves a cascade of intrinsically coupled processes, rendering the independent optimization of catalytic kinetics and thermodynamics challenging. In this study, we introduce a structural regulation strategy via steric-driven interlayer slipping engineering of metalloporphyrin-base...

Jie He, Qingxuan Chen, Min-Xian Zhang et al. · 0 citations
Aug 2026

Adsorbate-Directed Surface Phase Separation in Cu-Ag Catalysts.

The determination of surface configuration is essential for understanding catalytic reactivity, yet these active states cannot be reliably inferred from bulk phase diagrams. In this work, we develop a machine-learning-accelerated molecular dynamics (ML-MD) framework on the Cu-Ag system to predict and control surface st...

Jun Wang, Yu Yang, Jia-Lei Huang et al. · 0 citations

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