A1 Vertaisarvioitu data-artikkeli tieteellisessä lehdessä
TheMeCat: Dataset of Thermocatalytic Conversion of CO2 to Methanol
Tekijät: Toldy, Árpád I.; Pisal, Prajwal; Krejčí, Ondřej; Rinke, Patrick; Santasalo-Aarnio, Annukka
Kustantaja: Springer Nature
Julkaisuvuosi: 2026
Lehti: Scientific Data
Artikkelin numero: 165
Vuosikerta: 13
eISSN: 2052-4463
DOI: https://doi.org/10.1038/s41597-025-06482-8
Julkaisun avoimuus kirjaamishetkellä: Avoimesti saatavilla
Julkaisukanavan avoimuus : Kokonaan avoin julkaisukanava
Verkko-osoite: https://doi.org/10.1038/s41597-025-06482-8
Rinnakkaistallenteen osoite: https://research.utu.fi/converis/portal/detail/Publication/508456844
Rinnakkaistallenteen lisenssi: CC BY NC ND
Rinnakkaistallennetun julkaisun versio: Kustantajan versio
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.
Ladattava julkaisu This is an electronic reprint of the original article. |  |
Julkaisussa olevat rahoitustiedot:
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).
