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Title | Synthesis, Characterization and Density Functional Study of LiMn1.5Ni 0.5O4 Electrode for Lithium ion Battery |
Authors |
Bharathi, M. Aruna
Rao, K. Venkateswara Sushama, M. |
ORCID | |
Keywords |
Co-precipitation DFT Li-ion Battery LiNi0.5Mn1.5O4 XRD Transmission spectrum Band structure Density of states |
Type | Article |
Date of Issue | 2014 |
URI | http://essuir.sumdu.edu.ua/handle/123456789/34318 |
Publisher | Сумський державний університет |
License | |
Citation | M. Aruna Bharathi, K. Venkateswara Rao, M. Sushama, J. Nano- Electron. Phys. 6 No 1, 01005 (2014) |
Abstract |
This paper analyses material issues of development of Li-ion batteries to store electrical energy. The
performance of the battery is improved by developing the high energy density cathode materials at Nano
level. This paper explains the synthesis of most interesting cathode material Lithium Manganese Spinel
and its derivatives like transition metal oxide (LiNi0.5Mn1.5O4) using Co-Precipitation chemical method; it
is one of the eco-friendly ,effective, economic and easy preparation method. The structural features of
LiNi0.5Mn1.5O4 was characterized by XRD – analysis indicated that prepared sample mainly belong to cubic
crystal form with Fd3m space group ,with lattice parameter a 8.265 and average crystal size of 31.59 nm
and compared the experimental results with computation details from first principle computation methods
with Quantum wise Atomistix Tool Kit (ATK),Virtual Nano Lab. First principle computation methods provide
important role in emerging and optimizing this electrode material. In this study we present an overview
of the computation approach aimed at building LiNi0.5Mn1.5O4 crystal as cathode for Lithium ion battery.
We show each significant property can be related to the structural component in the material and can
be computed from first principle. By direct comparison with experimental results, we assume to interpret
that first principle computation can help to accelerate the design & development of LiNi0.5Mn1.5O4 as
cathode material of lithium ion battery for energy storage.
When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/34318 |
Appears in Collections: |
Журнал нано- та електронної фізики (Journal of nano- and electronic physics) |
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File | Size | Format | Downloads |
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Bharathi_Rao_Sushama.pdf | 1.14 MB | Adobe PDF | 1335273335 |
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