Designing Topotactic Ion-Exchange Reactions in Solid-State Oxides Through First-Principles Calculations
Issei Suzuki,
Masao Kita,
Takahisa Omata
Abstract:Topotactic ion-exchange reactions between inorganic compounds (precursors) and ionic crystals (ion sources) at low temperatures provide a promising approach for accessing metastable compounds that are absent from the equilibrium phase diagrams. These reactions typically require a negative Gibbs free energy change from the reactant to the product. However, owing to the limited experimental thermodynamic data, chloride and nitrate have been conventionally selected as ion sources in previous studies, which restri… Show more
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