A1 Refereed data article in a scientific journal
TheMeCat: Dataset of Thermocatalytic Conversion of CO2 to Methanol
Authors: Toldy, Árpád I.; Pisal, Prajwal; Krejčí, Ondřej; Rinke, Patrick; Santasalo-Aarnio, Annukka
Publisher: Springer Nature
Publication year: 2026
Journal: Scientific Data
Article number: 165
Volume: 13
eISSN: 2052-4463
DOI: https://doi.org/10.1038/s41597-025-06482-8
Publication's open availability at the time of reporting: Open Access
Publication channel's open availability : Open Access publication channel
Web address : https://doi.org/10.1038/s41597-025-06482-8
Self-archived copy’s web address: https://research.utu.fi/converis/portal/detail/Publication/508456844
Self-archived copy's licence: CC BY NC ND
Self-archived copy's version: Publisher`s PDF
Data-driven materials discovery to accelerate the development of new catalysts for the green transition shows great promise, but requires machine-interpretable experimental data. For this purpose, we compiled the TheMeCat dataset for the thermocatalytic conversion of CO2 to methanol. TheMeCat is curated from experimental literature sources, and designed for hybrid computational and experimental catalyst workflows. The dataset captures key catalyst features, process parameters, and methanol conversion efficiencies. Upon detailed analysis of the generated dataset and the associated variability in reported values, we perform targeted error analysis to assess consistency and reinforce the need for clear, structured reporting.
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Funding information in the publication:
This project has received funding from the European Union - NextGenerationEU instrument and is funded by the Research Council of Finland under grant numbers 348179 and 348180 (AIcon - AI-guided CO2 conversion).
