Magnesium ion mobility in post-spinels accessible at ambient pressure
Daniel C Hannah1, Gopalakrishnan Sai Gautam2, Pieremanuele Canepa2
1Materials Sciences Division, Lawrence Berkeley National Laboratory, CA 94270, USA. gceder@berkeley.edu.
Chemical Communications (Cambridge, England)
|April 26, 2017
Summary
Titanium-containing post-spinels show promise for rapid multivalent ion diffusion in oxides. However, significant thermodynamic forces may drive undesirable conversion reactions in these materials.
Area of Science:
- Materials Science
- Solid-State Chemistry
- Electrochemistry
Background:
- Fast ion diffusion is crucial for energy storage applications.
- Oxide lattices are common in battery materials.
- Multivalent ion diffusion presents unique challenges compared to monovalent ions.
Purpose of the Study:
- To investigate titanium-containing post-spinels as potential materials for fast multivalent ion diffusion.
- To assess the feasibility of using these materials in practical applications.
- To identify potential limitations and challenges associated with their use.
Main Methods:
- Computational modeling and simulation of ion diffusion pathways.
- Thermodynamic analysis of potential conversion reactions.
- Literature review of related material systems.
Main Results:
- Ti-containing post-spinels demonstrate potential for rapid multivalent ion transport.
- The close-packed oxide lattice structure facilitates ion movement.
- Substantial thermodynamic driving forces for conversion reactions were identified as a key challenge.
Conclusions:
- Ti-containing post-spinels offer a promising, accessible pathway for fast multivalent ion diffusion.
- The identified thermodynamic instabilities require careful consideration for material design and application.
- Further research is needed to mitigate conversion reactions and optimize these materials for energy storage.
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