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Updated: May 9, 2025

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy
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Published on: November 9, 2019

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关于CO/H2的替代代代数学的观点 PROX对MnO2的复合催化剂

Marco Bertini1, Francesco Ferrante1, Laura Gueci1

  • 1Dipartimento di Fisica e Chimica "Emilio Segrè", Università degli Studi di Palermo, Viale delle Scienze Ed. 17, Palermo I-90128, Italy.

Journal of chemical information and modeling
|May 2, 2025
PubMed
概括

这项研究引入了一种新的基于图形的动力分析 (DFT-GKA),用于模拟在氧化催化剂上的H2 (PROX) 反应动力学中的优先CO氧化. 该方法为改善未来应用提供了对催化机制的关键见解.

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