Synthesis and Characterization of Magnesium Vanadates as Potential Magnesium‐Ion Cathode Materials through an Ab Initio Guided Carbothermal Reduction Approach**
Accepted version
Peer-reviewed
Repository URI
Repository DOI
Change log
Authors
Abstract
jats:titleAbstract</jats:title>jats:pMany technologically relevant materials for advanced energy storage and catalysis feature reduced transition‐metal (TM) oxides that are often nontrivial to prepare because of the need to control the reducing nature of the atmosphere in which they are synthesized. Herein, we show that an ab initio predictive synthesis strategy can be used to produce multi‐gram‐scale products of various MgVjats:subjats:italicx</jats:italic></jats:sub>Ojats:suby</jats:sub>‐type phases (δ‐MgVjats:sub2</jats:sub>Ojats:sub5</jats:sub>, spinel MgVjats:sub2</jats:sub>Ojats:sub4</jats:sub>, and MgVOjats:sub3</jats:sub>) containing Vjats:sup3+</jats:sup> or Vjats:sup4+</jats:sup> relevant for Mg‐ion battery cathodes. Characterization of these phases using jats:sup25</jats:sup>Mg solid‐state NMR spectroscopy illustrates the potential of jats:sup25</jats:sup>Mg NMR for studying reversible magnesiation and local charge distributions. Rotor‐assisted population transfer (RAPT) is used as a much‐needed signal‐to‐noise enhancement technique. The ab initio guided synthesis method is seen as a step forward towards a predictive synthesis strategy for targeting specific complex TM oxides with variable oxidation states of technological importance.</jats:p>
Description
Keywords
Journal Title
Conference Name
Journal ISSN
1521-3757
Volume Title
Publisher
Publisher DOI
Rights
Sponsorship
EPSRC (via University of Birmingham) (EP/S032622/1)