A theoretical study on the formation mechanism of peroxovanadate and the origin of its high activity for oxidation of sulfide
DFT calculations reveal POVs are oxidized by H 2 O 2 via a proton transfer pathway (rather than a radical pathway), generating highly reactive peroxovanadate intermediates.
Authors
- Lin‐Yan Bao (ORCID: https://orcid.org/0000-0001-7103-525X)
- Rong‐Lin Zhong (ORCID: https://orcid.org/0000-0002-8896-1767)
- Xiao-Xia You
- Lili Wang (ORCID: https://orcid.org/0000-0002-3607-0786)
- Wang Ya (ORCID: https://orcid.org/0000-0003-3293-1777)
- Xin Ma (ORCID: https://orcid.org/0000-0001-9629-1380)
- Zhong‐Min Su (ORCID: https://orcid.org/0000-0002-3342-1966)
- W.S. Shu
Institutions
- Jilin University (CN)
- Jilin Engineering Normal University (CN)
- Jilin Province Science and Technology Department (CN)
- State Key Laboratory of Supramolecular Structure and Materials
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5ta02513c
- Primary Topic
- Chemical Synthesis and Reactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- National Key Research and Development Program of China
- Fundamental Research Funds for the Central Universities