R-Nb2O5 has an 'idealized' V2O5 structure and Wadsley–Roth-like structural stability during Li-ion battery cycling. Issue 11 (10th February 2023)

• Record Type: Journal Article
• Authors: Parui, Kausturi; Lee, Alexander D.; Gandhi, Shornam; Butala, Megan M.
• Is Part Of: Journal of materials chemistry. Volume 11:Issue 11(2023)
• Page Start: 5559
• Page End: 5567
• Publication Date: 2023-02-10
• Subjects: Materials -- Research -- Periodicals; Chemistry, Analytic -- Periodicals; Environmental sciences -- Research -- Periodicals; 543.0284
• DOI: 10.1039/d2ta08653k
• Languages: English
• ISSNs: 2050-7488

Abstract

Abstract : R -Nb2 O5 has minimal structure changes with cycling and symmetric cycling profiles. With Wadsley–Roth 'slabs' and an 'idealized' V2 O5 structure, metastable R -Nb2 O5 bridges understanding of two well-studied families of Li-ion battery electrodes. Abstract : The adoption of batteries across diverse applications requires electrode materials with a wider range of performance metrics, such as cost, safety, and material availability. Along the path to discovering new commercially viable materials, a fundamental understanding of chemical and atomic structure features that provide structural stability and effective ion transport is essential. In support of new understanding, we report the cycling behavior of metastable R -Nb2 O5 . R -Nb2 O5 adopts an 'idealized' V2 O5 structure, in which [NbO6 ] octahedra alternate in edge- and corner-sharing resulting in ReO3 -like slabs, whereas Wadsley–Roth materials have ReO3 -like blocks, linked through edge-sharing octahedra at intersecting crystallographic shear planes. We find that this slab structure is stable during cycling, with minor atomic structure changes and cycling curves that are symmetric on discharge and charge, resembling the behavior of Wadsley–Roth materials more than other related materials, such as ReO3, V2 O5, or Nb3 O7 F. Based on our findings, R -Nb2 O5 can serve as a 'structural bridge' between Wadsley–Roth block structures and V2 O5, through which we can relate inter- and intra-polyhedral structures to cycling behavior and structural stability during cycling.