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Author

Yujin Ji

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Sep 2026

High-Throughput Screening of MN4 Coordinated Macrocyclic Frameworks for CO Reduction by Combining First-Principles Calculations and Machine Learning

The electrochemical CO reduction reaction (CORR) by single-atom catalysts (SACs) provides a promising route for converting CO into value-added C1 products, but the rational discovery of efficient SACs remains challenging because of the large configurational space and complex reaction network. Herein, we chose two-dim...

Zi-Yue Zhang, Meng-Meng Xu, Juan Xie et al. · 0 citations
Aug 2026

Phase-Controlled Bi2O3 Nanosheets for Highly Efficient Electrochemical CO2 Reduction to Formate.

The electrochemical carbon dioxide reduction reaction (CO2RR) offers a sustainable route to convert CO2 into valuable chemicals, with formic acid being one of the most economically attractive products. Bismuth (Bi)-based materials have shown promise as CO2RR electrocatalysts, yet their practical application is hindered...

Shuangxing Li, Da Liu, Chendi Zhao et al. · 0 citations
Open access Aug 2026

Mechanistic Origins of Enhanced PET Hydrolase Activity from Molecular Dynamics and Deep Learning-Assisted Network Analysis

Polyethylene terephthalate (PET) hydrolase-based biodegradation offers a promising route for plastic waste remediation, yet the dynamic origins of high activity and their linkage across catalytic stages still require further elucidation. Here, we focus on the Leaf-Branch Compost Cutinase (LCC) system to reveal the po...

Jiawen Wang, Haozhe Pan, Huilong Dong et al. · 0 citations

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