"Unraveling the role of structural water in bilayer V2O5 during Zn2+-intercalation: insights from DFT calculations"

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Structural water in bilayer V2O5·nH2O could affect the Zn ions intercalation and rebuild a smooth electrostatic environment between V2O5 sheets for fast Zn ions diffusion. Click to show full abstract

Structural water in bilayer V2O5·nH2O could affect the Zn ions intercalation and rebuild a smooth electrostatic environment between V2O5 sheets for fast Zn ions diffusion.

Keywords: bilayer v2o5; water bilayer; v2o5; structural water

Journal Title: Journal of Materials Chemistry A
Year Published: 2019

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