Abstract:Metal hexacyanometallates, or Prussian blue analogs (PBAs), are active materials in important electrochemical technologies, including next-generation sodium-and potassiumion batteries. They have tunable properties including reduction potential, ionic conductivity, and color. However, little is known about their electronic conductivities. In this work, we use density-functional theory to model electronic structure and to explore the likely electron-conduction mechanism in three promising cathodes (manganese, ir… Show more
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