Active bridging hydride species in ZnO nanorods originated from hydroxyl and oxygen vacancy
The bridging hydride species (Zn-H-Zn) formed via H<sub>2</sub> dissociation on ZnO surface play crucial roles in hydrogenation of unsaturated hydrocarbon to industrial production. Here, we find that the migration of surface hydroxyl in ZnO nanorods to nearby oxygen vacancy can also lead to the formation of this Zn-H-Zn species that are reactive to CO<sub>2</sub> hydrogenation to methanol using solid-state NMR spectroscopy. Below 100 °C, bridging Zn-H-Zn species show no activity toward CO<sub>2</sub> activation, while formate species are formed via the reaction of CO<sub>2</sub> with surface hydroxyl groups. At 150-200 °C, Zn-H-Zn species hydrogenate formate to methoxy species. At 250 °C, methanol is produced and desorbs from the ZnO surface. These results confirm the methanol formation mechanism via formate and methoxy intermediates in the presence of active bridging Zn-H-Zn species. This work reveals a new source of active hydrogen species in ZnO nanorods without introducing H<sub>2</sub>, which is highly significant for heterogeneous hydrogenation reactions.
Authors
- Lu Peng
- Zhonghan Feng
- Benteng Song (ORCID: https://orcid.org/0009-0002-9211-3522)
- Xin‐Ping Wu (ORCID: https://orcid.org/0000-0003-3147-8333)
- L C Xie
- Qin Zhu
- Ye Gu
Institutions
- Nanjing University of Chinese Medicine (CN)
- East China University of Science and Technology (CN)
- The Synergetic Innovation Center for Advanced Materials (CN)
- Ministry of Education and Child Care (CA)
- Nanjing University (CN)
Publication Details
- Journal
- Nature Communications
- Published
- 2025-12-23
- DOI
- https://doi.org/10.1038/s41467-025-67625-4
- Citations
- 1
- Primary Topic
- Catalysts for Methane Reforming
- Type
- article
- Field-Weighted Citation Impact
- 0.39
Funders
- National Natural Science Foundation of China
- Nanjing University
- Priority Academic Program Development of Jiangsu Higher Education Institutions