Cross-Investigation on Copper Nitroprusside: Combining XRD and XAS for In-Depth Structural Insights

The emerging energy demand and need to develop sustainable storage systems have drawn extensive attention fundamental applied research. Anion redox processes were proposed in cathodic materials addition traditional transition metal boost the specific capacity electrochemical performance. Alternatively, copper nitroprusside (CuNP) features an electroactive nitrosyl ligand alongside two structural metals (Fe, Cu), representing alternative anion layered oxides. Here, a deep investigation is carried out on CuNP by complementing long-range order sensitivity of X-ray diffraction (XRD) local atomic probe absorption (XAS). Two different are studied, hydrated dehydrated forms. A new phase for not reported literature solved, Rietveld refined. XAS spectra at Cu Fe K-edges show similar yet environment. extended (EXAFS) analysis accomplished considering three- four-body terms due high collinearity chains gives accurate insight into first-, second-, third-shell interatomic distances. Both mounted Li-ion Na-ion cells explore link between structure As revealed charge/discharge cycles, cyclability negatively affected interstitial water. similarity environment differences suggest dependence