Abstract
We investigated the crystal and electronic structures of Li1+xNi0.5Mn0.5O2 by Rietveld analysis and first-principle calculations. The crystal structure was well refined by Rietveld analysis using R-3m as the space group, and it was found with MEM using synchrotron X-ray diffraction that the sample showing better cycle performance had higher electron density at a saddle point of 3b–6c. The first-principle calculation clarified that the covalent bond of Ni–O and Mn–O in near a cation mixing position was stronger than that of normal position.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
