How is CO<sub>2</sub> hydrogenated to ethanol on metal–organic framework HKUST-1? Microscopic insights from density-functional theory calculations
Through DFT calculations, we quantitatively and explicitly elucidate the fundamental mechanism involved in CO 2 hydrogenation to ethanol on HKUST-1.
Authors
- Bikun Zhang (ORCID: https://orcid.org/0000-0001-5368-7924)
- Jianwen Jiang (ORCID: https://orcid.org/0000-0003-1310-9024)
Institutions
- National University of Singapore (SG)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2024-12-31
- DOI
- https://doi.org/10.1039/d4ta08052a
- Primary Topic
- Metal-Organic Frameworks: Synthesis and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00