Mechanistic insights into CO hydrogenation to methanol mediated by a manganese pincer catalyst: a DFT study
This work presents a comprehensive DFT study elucidating the CO hydrogenation mechanism catalyzed by a manganese pincer complex and proposes a catalyst design to improve its efficiency.
Authors
- Yonghong Hu (ORCID: https://orcid.org/0000-0002-8268-8763)
- Yuanxin Cao
- Lei Qin (ORCID: https://orcid.org/0000-0002-6708-1285)
- Lili Zhao (ORCID: https://orcid.org/0000-0003-2580-6919)
- Shuqi Zhang (ORCID: https://orcid.org/0000-0001-9443-9417)
- Ma Qin (ORCID: https://orcid.org/0000-0002-5945-5793)
- Zhexuan Zhang (ORCID: https://orcid.org/0000-0001-6481-1572)
Institutions
- Nanjing Tech University (CN)
Publication Details
- Journal
- Catalysis Science & Technology
- Published
- 2025-12-12
- DOI
- https://doi.org/10.1039/d5cy01266j
- Primary Topic
- Carbon dioxide utilization in catalysis
- Type
- article
- Field-Weighted Citation Impact
- 0.00