Methanol synthesis on ZnO(0001¯). IV. Reaction mechanisms and electronic structure.
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Summary
The obtained results suggest an Eley-Rideal mechanism for both reduction steps, thus involving "near-surface" molecules from the gas phase, to give methanol preferentially over a strongly reduced catalyst surface, while important side reactions are of Langmuir-Hinshelwood type.
- Type
- article
- Published
- 2014-09-29
- Cited by
- 20
- References
- 88
- OpenAlex
- https://openalex.org/W216927150
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:22499427
Keywords
Catalysis, Chemistry, Methanol, Desorption, Reactions on surfaces
References
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- Catalytic valorization of CO2 via methanol synthesis with Ga-promoted Cu–ZnO–ZrO2 catalysts
- Stabilization principles for polar surfaces of ZnO.
- Methanol synthesis on ZnO(0001). I. Hydrogen coverage, charge state of oxygen vacancies, and chemical reactivity.
- Structure-Dependent Kinetics for Synthesis and Decomposition of Formate Species over Cu(111) and Cu(110) Model Catalysts
Cited by
- Lateral interaction and spectroscopic constants of CO adsorbed on ZnO
- Cu/ZnO nanocatalysts in response to environmental conditions: surface morphology, electronic structure, redox state and CO2 activation.
- Reaction Network of Methanol Synthesis over Cu/ZnO Nanocatalysts
- Sustainable Energy Systems: The Strategic Role of Chemical Energy Conversion
- Isolated Surface Hydrides: Formation, Structure, and Reactivity.
- Enhancing the Catalytic Activity of Zn-Containing Magnetic Oxides in a Methanol Synthesis: Identifying the Key Factors.
- Active sites for CO2 hydrogenation to methanol on Cu/ZnO catalysts
- Nano-scale chemical reactions based on non-uniform optical near-fields and their applications
- Bicanonical ab Initio Molecular Dynamics for Open Systems.
- Constrained Chemical Dynamics of CO Dissociation/Hydrogenation on Rh Surfaces.
- CO Self-Promoting Hydrogenation on CO-Saturated Ru(0001): A New Theoretical Insight into How H2 Participates in CO Activation
- Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound
- Hydride species on oxide catalysts
- Fine regulation of Cu-ZnO interfaces for enhanced CO2 hydrogenation to methanol by atomic layer depositing thin ZnO films on copper phyllosilicates
- Tailoring ZnO x Species Confined on ZrO2 Support for Enhanced CO Hydrogenation
- Atomic-layer-deposited ZnO tailors Niδ⁻–ZnOδ⁺ interfaces to switch CO2 hydrogenation selectivity from CH4 to CO
- Theoretical study of CO2 hydrogenation towards methanol over Cu/ZnO-X (X=Ni, Pd, Pt, Zr) catalysts: Quantitative description of clean surface and rich hydrogen environment
- Mechanistic studies toward the rational design of oxide catalysts for carbon dioxide hydrogenation
- Near-Field Assisted Chemical Reactions and Its Applications
- Perspectives in Carbon Oxides Conversion to Methanol/Dimethyl Ether: Distinctive Contribution of Heterogeneous and Photocatalysis
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