Electrochemical energy storage systems, such as rechargeable intercalation batteries, are a reliable and efficient medium of portable energy storage, finding enabling portable electronics and electric vehicles. Intercalation batteries operate on the basic principle that during discharge (delivery of energy), cations (in our case, Li-ions) diffuse along the chemical potential gradient and during charge these cations diffuse uphill against the chemical potential gradient. Hence, the performance of the battery depends upon the reversible insertion/extraction of a charged species. Niobium oxides, including their Wadsley-Roth phases, have recently drawn interest for intercalation electrodes. Depending upon synthesis conditions, various stable and metastable polymorphs of Nb<sub>2</sub>O<sub>5</sub> can result. With an interest in understanding the underlying storage mechanisms, such as those related to their ionic diffusion and capacity, we have used diffraction and total scattering to characterize their initial structures and cycling products. The knowledge of these underlying mechanisms can inform electrode design, including to lower energy barriers along diffusion pathways and mitigate disadvantageous structural changes.

Structural and chemical evolution in metastable niobates during Li-ion battery cycling

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ACS Fall 2022

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