Journal article
Computational Insights into the Nucleation of Mixed-Valent Polyoxovanadate Alkoxide Clusters
Inorganic chemistry, Vol.60(10), pp.7262-7268
05/17/2021
DOI: 10.1021/acs.inorgchem.1c00337
PMID: 33891406
Abstract
The synthesis of novel tunable electroactive species remains a key challenge for a wide range of chemical applications such as redox catalysis, energy storage, and optoelectronics. In recent years, polyoxovanadate (POV) alkoxide clusters have emerged as a new class of compounds with highly promising electrochemical applications. However, our knowledge of the formation pathways of POV alkoxides is rather limited. Understanding the speciation of POV alkoxides is fundamental for controlling and manipulating the evolution of transient species during their nucleation and therefore tuning the properties of the final product. Here, we present a computational study of the nucleation pathways of a mixed-valent [((V6-nVnO6)-V-V-O-IV)(O)(O-CH3)(12)]((4-n)+) POV alkoxide cluster in the absence of reducing agents other than methanol.
Details
- Title: Subtitle
- Computational Insights into the Nucleation of Mixed-Valent Polyoxovanadate Alkoxide Clusters
- Creators
- S. M. Gulam Rabbani - University of South DakotaAndreas J. Achazi - University of South DakotaPere Miro - University of South Dakota
- Resource Type
- Journal article
- Publication Details
- Inorganic chemistry, Vol.60(10), pp.7262-7268
- Publisher
- Amer Chemical Soc
- DOI
- 10.1021/acs.inorgchem.1c00337
- PMID
- 33891406
- ISSN
- 0020-1669
- eISSN
- 1520-510X
- Number of pages
- 7
- Grant note
- FY18 / South Dakota Board of Regents through the Competitive Research Grant Program OAC-1626516 / National Science Foundation MRI Award; National Science Foundation (NSF) Department of Chemistry at the University of South Dakota (USD)
- Language
- English
- Date published
- 05/17/2021
- Academic Unit
- Chemistry
- Record Identifier
- 9984618506102771
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