Comprehensive study of Mn/Ni ordering in LiNi0.5-xMn1.5+xO4 using neutron powder diffraction and scanning transmission electron microscopy
Year: 2025
Type: article
Abstract: In this study, we extensively establish unique relationships between the chemical compositions of LiNi 0.5-x Mn 1.5+x O 4 (LNMO) spinel-type positive electrode materials and the degree of Mn/Ni ordering, which influences their electrochemical performance. To achieve this, in situ temperature-controlled neutron powder diffraction experiments were performed under air or oxygen atmospheres to track the Mn/Ni ordering process during annealing of LNMO samples that contain different Mn/Ni ratios. Systematic in-depth structural analysis of a large number of samples, using both neutron and synchrotron X-ray powder diffractions, revealed clear correlations between the variations in the voltage-composition profiles and the distribution of Mn and Ni atoms between the 4 b and 12 d crystallographic sites of ordered LNMO. Additionally, we employed high-resolution scanning transmission electron microscopy combined with fast Fourier transform analysis that enabled us to visualize the distribution and sizes of Mn/Ni ordered domains at the particle level in excellent agreement with the Rietveld refinement from neutron powder diffraction data.
Source: Energy storage materials
Institutions: Centre National de la Recherche Scientifique, Université de Bordeaux, Institut de Chimie de la Matière Condensée de Bordeaux, Institut Laue-Langevin, Laboratoire de Réactivité et Chimie des Solides, Institut Polytechnique de Bordeaux, Université de Picardie Jules Verne, University of Antwerp, Umicore (Belgium), ALBA Synchrotron (Spain), Institut Universitaire de France, Réseau sur le Stockage Electrochimique de l'énergie
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $5,400
OpenAlex ID: W4411103303