Author

Zi-Yu Li

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Open access Aug 2026

PPh3 enhanced catalytic conversion of CO2 to ethanol over a Ru–Co catalyst

CO2 is a major greenhouse gas as well as an abundant, cheap, and renewable carbon resource. Synthesis of ethanol from CO2 using a homogeneous catalyst represents a promising protocol for CO2 utilization, yet achieving high catalytic performance with a cost-effective catalyst remains a challenge. Herein, we report a hig...

Jia Guo, Ying Wang, Xianyu Meng et al. · Chemical Science · 0 citations

Open access Aug 2026

Exploring the chemical space of transition-metal cluster thermodynamics via automated first-principles calculations and machine learning

Atomic clusters serve as the embryos of materials, yet their enormous and compositionally complex chemical space has long hindered systematic exploration of thermodynamic stability. Here, we show that a unified first-principles and machine-learning framework enables large-scale mapping of transition metal cluster therm...

Ning-Zheng Li, Zi-Yue Wang, Zi-Yu Li et al. · Nature Communications · 0 citations