Synthesis and Characterization of Magnesium Vanadates as Potential Magnesium‐Ion Cathode Materials through an Ab Initio Guided Carbothermal Reduction Approach

• Published in: Angewandte Chemie International Edition Vol. 61; no. 8; pp. e202112688 - n/a
• Main Authors: Lee, Jeongjae, Dey, Sunita, Dutton, Siân E., Grey, Clare P.
• Format: Journal Article
• Language: English
• Published: Germany Wiley Subscription Services, Inc 14.02.2022; Wiley Blackwell (John Wiley & Sons)
• Edition: International ed. in English
• Subjects: Ab initio calculations; Catalysis; Cathodes; Electrode materials; Energy storage; Magnesium; Magnetic resonance spectroscopy; NMR; NMR spectroscopy; Nuclear magnetic resonance; Oxidation; Solid-phase synthesis; Vanadates; Ab initio calculations; Magnesium; NMR spectroscopy; Solid-phase synthesis; Vanadates

Many 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 pr...