Chemical Structure from Scientific Research

Open access visualization of Chemical Structure, Oxidation States, Oxygen Ions, Bader Charge Analysis, Surface Oxidation
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DOI: 10.1016/j.joule.2023.06.017

DOI

Oxidation states of the O ions on and near the (012) facet of NiO2according to a Bader charge analysis of the PBE +Ucharge density; lighter colors represent higher states of oxidation. Surface O ions are in a yet more oxidized state than bulk O.

#Chemical Structure#Oxidation States#Oxygen Ions#Bader Charge Analysis#Surface Oxidation

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