Exploring CO 2 hydrogenation to methanol at a CuZn–ZrO 2 interface via DFT calculations

Aku Lempelto; Lars Gell; Toni Kiljunen; Karoliina Honkala

doi:10.1039/d3cy00549f

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Exploring CO ₂ hydrogenation to methanol at a CuZn–ZrO ₂ interface via DFT calculations

Aku Lempelto Lars Gell Toni Kiljunen Karoliina Honkala

Year: 2023 Journal: Catalysis Science & Technology Vol: 13 (15)Pages: 4387-4399 Publisher: Royal Society of Chemistry

DOI: 10.1039/d3cy00549f

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Abstract

Multi-component heterogeneous catalysts are among the top candidates for converting greenhouse gases into valuable compounds.

Keywords:

Catalysis Methanol Greenhouse gas Component (thermodynamics) Interface (matter) Materials science Chemical engineering Heterogeneous catalysis Inorganic chemistry Physical chemistry Chemistry Thermodynamics Physics Organic chemistry

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Carbon dioxide utilization in catalysis

Physical Sciences → Chemical Engineering → Process Chemistry and Technology

Catalytic Processes in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Catalysts for Methane Reforming

Physical Sciences → Chemical Engineering → Catalysis

Exploring CO ₂ hydrogenation to methanol at a CuZn–ZrO ₂ interface via DFT calculations

Abstract

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Exploring CO 2 hydrogenation to methanol at a CuZn–ZrO 2 interface via DFT calculations

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