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Updated: Oct 27, 2025

Development of Heterogeneous Enantioselective Catalysts using Chiral Metal-Organic Frameworks MOFs
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Development of Heterogeneous Enantioselective Catalysts using Chiral Metal-Organic Frameworks MOFs

Published on: January 17, 2020

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機械学習によるFe-Catalyzed Fischer-Tropsch合成におけるCO活性化のためのIn Situアクティブサイト

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
まとめ

機械学習シミュレーションにより,フィッシャー・トロプシュ合成 (FTS) 中の鉄炭化物 (FeC) 触媒における一酸化炭素 (CO) 活性化部位が特定されました. この研究は,オレフィン生産に不可欠な特定のFeC表面と炭素の空白を明らかにし,触媒設計を進めています.

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