Disordered Versus Ordered Niobates as Electrode Materials for Rechargeable Batteries by Professor Nicola Pinna
NTU MSE Seminar Hosted by Professor Lee Pooi See
Abstract
A well-ordered structure with high crystallinity is crucial in various applications, particularly in electrode materials for batteries. The dimensionality and connectivity of the interstitial sites, determined by the crystal structure, inherently influence alkali ions diffusion kinetics. Niobium-based oxides structures are built by the assembly of ReO3-type blocks of specific sizes with metal sites having well defined positions within the crystalline structure. Structural disorder generally disrupts the regular pathways for ion and electron transport, leading to a lower overall conductivity. Here, we report a new anomalous disordered niobium tungsten oxide structure that significantly enhances the Li-ion storage performance compared to the ordered phase. The disordered tetragonal phase consists of corner-shared NbO6 octahedra blocks of varied sizes, including [5x4], [4x4], and [4x3], with a disordered arrangement of the tungsten tetrahedra at the corners of the blocks, together with strong distortion of the WO4 tetrahedra. This structural arrangement is found to be extremely robust during lithiation/delithiation, with a homeostatic local structure evolution during cycling, as determined by operando X-ray diffraction and X-ray absorption spectroscopy. This study highlights the benefits of introducing disorder into niobium tungsten oxide shear structures, through the establishment of clear structure-performance correlations, offering valuable guidelines for designing materials with targeted properties.
Biography

Professor Nicola Pinna
Department of Chemistry
Humboldt University of Berlin