11–13 Apr 2022
University Conference Centre in Bochum
Europe/Berlin timezone

AI with experimental and theoretical data: role of the support material for CO2 hydrogenation

11 Apr 2022, 19:00
1h 30m
University Conference Centre in Bochum

University Conference Centre in Bochum

Speaker

Ray Miyazaki (Fritz Haber Institute of the Max Planck Society)

Description

The performance of heterogeneous catalysts is governed by an intricate interplay of several multi-scale processes. Thus, it is rather challenging to identify the most relevant parameters for the design of the catalyst and its support material. Here, we combine experimental and theoretical descriptive parameters characterizing cobalt nanoparticles dispersed on SiO2 supports modified with Ti, Zr, Al, Ca, or Mg, and adopt the sure-independence-screening-and-sparsifying (SISSO) AI approach to identify correlations describing the selectivity of these materials measured for the CO2 hydrogenation to methanol.

Poster title Poster

Primary authors

Ray Miyazaki (Fritz Haber Institute of the Max Planck Society) Kendra Belthle (Max-Planck-Institut für Kohlenforschung) Harun Tüysüz (Max-Planck-Institut für Kohlenforschung) Ferdi Schüth (Max-Planck-Institut für Kohlenforschung) Lucas Foppa (Fritz Haber Institute of the Max Planck Society) Matthias Scheffler (Fritz Haber Institute of the Max Planck Society)

Presentation materials

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