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Impact of Intermediate Sites on Bulk Diffusion Barriers: Mg Intercalation in MgMoO
Gopalakrishnan Sai Gautam, Xiaoqi Sun, Victor Duffort +2
The ongoing search for high voltage positive electrode materials for Mg batteries has been primarily hampered by poor Mg mobility in bulk oxide frameworks. Motivated by the presenc…
Role of structural HO in intercalation electrodes: the case of Mg in nano-crystalline Xerogel-VO
Gopalakrishnan Sai Gautam, Pieremanuele Canepa, William Davidson Richards +2
Co-intercalation is a potential approach to influence the voltage and mobility with which cations insert in electrodes for energy storage devices. Combining a robust thermodynamic…
Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures
Christopher M. Caskey, Aaron Holder, Sarah Shulda +20
Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable…