Author

Li-Xia Ling

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Sep 2026

Engineering Intersection Cobalt Sites in Silicalite-1 for Enhanced Ethane Dehydrogenation

Zeolite-supported single-atom catalysts have demonstrated notable performance in alkane dehydrogenation reactions, yet the precise location of active sites and their regulatory role in catalytic behavior remain poorly understood. Herein, the combined theoretical and experimental study aims to elucidate the location-d...

Xiao-Ru Ma, Cheng-Kai Pan, Shao-Jia Song et al. · ACS Catalysis · 0 citations

Sep 2026

CO-Mediated Relay Catalysis Affords Selective CO2 Hydrogenation to Methanol

Although technologically promising for producing petrochemicals directly from renewable resources, CO2 hydrogenation to methanol remains a formidable challenge due to the activity-selectivity trade-off. Current industrial copper-based catalysts often generate substantial CO byproducts that limit CO2 utilization effic...

Tang-Kang Liu, Yun-Ya Guo, Xian-Feng Yi et al. · Journal of the American Chem... · 0 citations

Aug 2026

Predictive Design of Single-Atom Catalysts for Ethane Dehydrogenation: A DFT-ML-Experimental Approach to Optimize Metal Identity and Its Coordination Environment

The rational design of high-performance single-atom catalysts (SACs) requires precise optimizing of both the metal identity and its local coordination environments. In this study, a combined DFT, machine learning (ML), and experiment approach is employed to systematically screen ethane direct dehydrogenation (EDH) pe...

Yajie Cao, Zhongkui Zhao, Shaojia Song et al. · ACS Catalysis · 0 citations