Speaker
Ms
Beauty Shibiri
(University of Limpopo)
Description
Optimising the performance potential in terms of voltage and capacity of Li-ion batteries requires understanding of both electrochemical and mechanical properties of a material. Molecular dynamics (MD) methods are capable of informing the time dependent properties such as amorphisation and recrystallisation (A+R) which can provide understanding of microstructural evolution. As such, MD simulations employing the DL_POLY code were carried out to investigate the effect of lithiation on the Li-Mn-O nanoporous materials under the NST ensemble. The Li-Mn-O nanoporous structures were obtained from spontaneous recrystallisation, during which various lithiated structures yielded to single or multigrained crystals. Furthermore, microstructural analysis depicted evolution of composites of spinel-layered components with defects. The XRDs analysis also confirmed the co-existence of spinel with layered structures owing to the characteristic/signature peaks of both polymorphs. Furthermore, the increment of Li content resulted in volume change in the nanoporous structures resulting in inward expansion within their pores. This may be ascribed to the flexible nature of nanoporous materials attributed to the hollow channels.
Apply to be<br> considered for a student <br> award (Yes / No)?
Yes
Level for award<br> (Hons, MSc, <br> PhD, N/A)?
MSc
Primary author
Ms
Beauty Shibiri
(University of Limpopo)
Co-authors
Prof.
Phuti Ngoepe
(University of Limpopo)
Dr
Raesibe Sylvia Ledwaba
(University of Limpopo)
