Structural, electronic, mechanical, and thermodynamic properties of na deintercalation from olivine namnpo4: first-principles study

HIGHLIGHTS

• who: Ratshilumela S. Dima and colleagues from the Department of Physics, University of Venda, P/Bag X, Thohoyandou, South Africa have published the paper: Structural, Electronic, Mechanical, and Thermodynamic Properties of Na Deintercalation from Olivine NaMnPO4: First-Principles Study, in the Journal: Materials 2022, 5280 of /2022/
• what: The main reason for this is that Na+ has a much larger ionic radius (r=0.102 nm) than Li+ (r=0.076 nm), resulting in slower ion mobility and larger volume changes in its host structure .
• how: Pressure-induced volume changes are also taken . . .
  

   

  

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