Heng-Jia Shao

An Electronic-Geometric Descriptor for Predicting High-Voltage Prussian Blue Analogue Cathodes.

Prussian blue analogues (PBAs) are promising sodium-ion battery cathodes owing to their open frameworks, compositional tunability, and high operating voltages. However, the rational design of high-voltage PBAs is hindered by the lack of physically interpretable descriptors connecting atomic-scale properties with voltag...