Thermal Methanol Synthesis from CO2 Using Cu/ZnO Catalysts: Insights from First‐Principles Calculations

Thermal Methanol Synthesis from CO2 Using Cu/ZnO Catalysts: Insights from First‐Principles Calculations

Catalytic hydrogenation of carbon dioxide to methanol offers a promising avenue for recycling CO2, enhancing environmental sustainability. Cu/ZnO has long been identified as one of the most effective heterogeneous catalysts for this reaction, yet the detailed understanding of its reaction mechanism...

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Bibliographic Details
Main Authors: Cong Xi, Yixin Nie, Hongjuan Wang, Cunku Dong, Jiuhui Han, Xi‐Wen Du
Format: Article
Language:English
Published: Wiley-VCH 2025-01-01
Series:Small Structures
Subjects:
coordination environments
Cu/ZnO
first‐principles calculation
methanol synthesis
Online Access:https://doi.org/10.1002/sstr.202400345
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