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光驱动催化的比较评估:数据标准化报告框架

Comparative Evaluation of Light-Driven Catalysis: A Framework for Standardized Reporting of Data.

作者信息

Ziegenbalg Dirk, Pannwitz Andrea, Rau Sven, Dietzek-Ivanšić Benjamin, Streb Carsten

机构信息

Institute of Chemical Engineering, Ulm University, Albert-Einstein-Allee 11, 89081, Ulm, Germany.

Institute of Inorganic Chemistry I, Ulm University, Albert-Einstein-Allee 11, 89081, Ulm, Germany.

出版信息

Angew Chem Int Ed Engl. 2022 Jul 11;61(28):e202114106. doi: 10.1002/anie.202114106. Epub 2022 Jun 13.

Abstract

Light-driven homogeneous and heterogeneous catalysis require a complex interplay between light absorption, charge separation, charge transfer, and catalytic turnover. Optical and irradiation parameters as well as reaction engineering aspects play major roles in controlling catalytic performance. This multitude of factors makes it difficult to objectively compare light-driven catalysts and provide an unbiased performance assessment. This Scientific Perspective highlights the importance of collecting and reporting experimental data in homogeneous and heterogeneous light-driven catalysis. A critical analysis of the benefits and limitations of the commonly used experimental indicators is provided. Data collection and reporting according to FAIR principles is discussed in the context of future automated data analysis. The authors propose a minimum dataset as a basis for unified collecting and reporting of experimental data in homogeneous and heterogeneous light-driven catalysis. The community is encouraged to support the future development of this parameter list through an open online repository.

摘要

光驱动的均相和多相催化需要光吸收、电荷分离、电荷转移和催化周转之间复杂的相互作用。光学和辐照参数以及反应工程方面在控制催化性能中起着主要作用。众多因素使得难以客观地比较光驱动催化剂并提供公正的性能评估。本科学观点强调了在均相和多相光驱动催化中收集和报告实验数据的重要性。对常用实验指标的优点和局限性进行了批判性分析。在未来自动化数据分析的背景下讨论了根据FAIR原则进行数据收集和报告。作者提出了一个最小数据集作为均相和多相光驱动催化中统一收集和报告实验数据的基础。鼓励该领域通过开放的在线知识库支持此参数列表的未来发展。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d923/9401044/75841ddf575c/ANIE-61-0-g005.jpg

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