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Author

Guoping Gao

2 papers indexed here

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Oct 2026

Peripheral Structure–Activity Relationships in N-Doped Single-Atom Catalysts Efficient for CO2 Electroreduction

Electrochemical CO2 reduction reaction (CO2RR) is a promising route for the conversion of CO2 into valuable carbon products. Nitrogen–carbon (NC)-supported single-atom catalysts (SACs), particularly those with peripheral coordination geometries, have attracted considerable attention. In the present work, we investiga...

Zama Jan, He-Qin Guo, H. Ud Din et al. · 0 citations
Review Open access Aug 2026

AI-Driven Rational Design of Solid-State Electrolytes

This work critically discusses the synergy between first-principles density functional theory (DFT), molecular dynamics simulations, and advanced AI algorithms including supervised and unsupervised learning (SL, UL), graph neural networks (GNNs), and Machine Learning Interatomic Potentials (MLIP) that collectively enab...

Jia-Ying He, Zama Jan, He-Qin Guo et al. · 0 citations

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