Unravelling the mechanisms of CO<sub>2</sub> hydrogenation to methanol on Cu-based catalysts using first-principles multiscale modelling and experiments

Matej Huš, D. Kopač, Neja Strah Štefančič, Damjan Lašič Jurković, Venkata D. B. C. Dasireddy, Blaž Likozar

Catalysis Science & Technology · 2017 · 115 citations · 46 references

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Abstract

Multi-scale modelling of various copper-based catalysts showed how and why different catalysts perform in methanol synthesis <italic>via</italic> carbon dioxide hydrogenation.

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