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Updated: Oct 27, 2025

Development of Heterogeneous Enantioselective Catalysts using Chiral Metal-Organic Frameworks MOFs
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Published on: January 17, 2020

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机器学习的Fe-催化Fischer-Tropsch合成中的CO激活活体

Qian-Yu Liu1, Cheng Shang1, Zhi-Pan Liu1

  • 1Collaborative Innovation Center of Chemistry for Energy Material, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Key Laboratory of Computational Physical Science, Department of Chemistry, Fudan University, Shanghai 200433, China.

Journal of the American Chemical Society
|July 19, 2021
PubMed
概括

机器学习模拟在费舍尔-托普施合成 (FTS) 过程中确定了碳氧化物 (CO) 激活铁碳化物 (FeC) 催化剂的活性位点. 这项研究揭示了FeC表面和碳空缺对于烯酸生产至关重要,进步了催化剂设计.

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