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    • Revealing the Mechanism of Sodium Diffusion in NaxFePO4 Using an Improved Force Field 

      Bonilla M.R.; Lozano A.; Escribano B.; Carrasco J.; Akhmatskaya E. (Journal of Physical Chemistry C, 2018-04-02)
      Olivine NaFePO4 is a promising cathode material for Na-ion batteries. Intermediate phases such as Na0.66FePO4 govern phase stability during intercalation-deintercalation processes, yet little is known about Na+ diffusion ...