The ability to quantitatively compare newly evolving catalytic materials and technologies is hindered by the widespread availability of catalytic data collected in a consistent manner. While certain catalytic chemistries have been widely studied across decades of scientific research, quantitative comparisons based on literature information is hindered by variability in reaction conditions, types of reported data, and reporting procedures. Here, we present CatTestHub, an open-access database dedicated to benchmarking experimental heterogeneous catalysis data. Combining systematically reported catalytic activity data for selected probe chemistries, with relevant material characterization and reactor configuration information, the database provides a collection of catalytic benchmarks for distinct classes of active site functionality. Through key choices in data access, availability, and traceability, CatTestHub seeks to balance the fundamental information needs of chemical catalysis and the FAIR data design principles. Details of the database architecture and the means through which to navigate it are presented, highlighting examples of catalytic insights readily drawn from the available benchmarking data. In its current iteration, CatTestHub spans over 250 unique experimental data points, collected over 24 solid catalysts, that facilitated the turnover of 3 distinct catalytic chemistries. A roadmap is presented through which to expand the open-access platform that serves as a community wide benchmark, primarily through continuous addition of kinetic information on select catalytic systems by members of the heterogeneous catalysis community at large.

中文翻译：

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CatTestHub：用于评估先进材料的实验多相催化的基准数据库


定量比较新发展的催化材料和技术的能力受到以一致方式收集的催化数据的广泛可用性的阻碍。虽然某些催化化学成分在数十年的科学研究中得到了广泛研究，但基于文献信息的定量比较受到反应条件、报告数据类型和报告程序变化的阻碍。在这里，我们介绍了 CatTestHub，这是一个开放访问的数据库，专门用于对实验多相催化数据进行基准测试。该数据库将系统报告的选定探针化学成分的催化活性数据与相关的材料表征信息和反应器配置相结合，为不同类别的活性位点功能提供了一系列催化基准。通过数据访问、可用性和可追溯性方面的关键选择，CatTestHub 寻求平衡化学催化的基本信息需求和 FAIR 数据设计原则。介绍了数据库架构的详细信息以及导航数据库架构的方法，重点介绍了从可用基准数据中很容易得出的催化洞察示例。在当前的迭代中，CatTestHub 跨越了 250 多个独特的实验数据点，收集了超过 24 种固体催化剂，促进了 3 种不同催化化学的周转。提出了一个路线图，通过该路线图扩展作为社区范围基准的开放获取平台，主要是通过整个多相催化社区的成员不断添加有关选定催化系统的动力学信息。