Abstract
Transition metal–based Prussian whites (TM-PWs), consisting of a cyanide anion ((–C≡N–)−) and TM cations in an alternative manner, have a general chemical formula of AxTMm+TMn+(CN)6. PWs are characterized by the TM electronic states that exclusively adopt low spin (LS) toward the C atom and high spin (HS) toward the N atom through the hybridized covalent bonding in the TM–C≡N–TM unit. This property would significantly affect the phase transition behavior upon the release and storage of carrier ions; however, there have been only few studies on their associated features.In this talk, TM-PWs with different HS TM ions (Fe, Co, and Ni) were synthesized via co-precipitation and the phase transition behavior controlled by the π electron interaction between the cyanide anions and TM ions during battery operations was investigated. In situ X-ray diffraction and X-ray absorption fine structure analyses reveal that the combined effect of π bonding between metal and ligand effectively controls the bond length of the TM–C≡N–TM unit, thus influencing the lattice volume of TM-PW cathodes during the charge/discharge process. This study presents a comprehensive understanding of the structure–property relationship of the TM-PW cathodes involving π electron interactions during battery operations.
Published Version
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