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Structural and electrochemical properties of aluminium doped LiMn2O4 cathode materials for Li battery: experimental and ab initio calculations

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dc.contributor.author Kebede, Mesfin A
dc.contributor.author Phasha, MJ
dc.contributor.author Kunjuzwa, N
dc.contributor.author Le Roux, Lukas J
dc.contributor.author Mkhonto, D
dc.contributor.author Ozoemena, KI
dc.contributor.author Mathe, Mahlanyane K
dc.date.accessioned 2014-02-19T07:59:28Z
dc.date.available 2014-02-19T07:59:28Z
dc.date.issued 2014-03
dc.identifier.citation Kebede, M.A., Phasha, M.J., Kunjuzwa, N., Le Roux, L.J., Mkhonto, D, Ozoemena, K.I and Mathe, M.K. 2014. Structural and electrochemical properties of aluminium doped LiMn2O4 cathode materials for Li battery: experimental and ab initio calculations. Sustainable Energy Technologies and Assessments, vol. 5, 44-49 en_US
dc.identifier.issn 2213-1388
dc.identifier.uri http://ac.els-cdn.com/S2213138813000829/1-s2.0-S2213138813000829-main.pdf?_tid=164d4618-97cb-11e3-b6c8-00000aacb35e&acdnat=1392638606_c668f33d50ab4b3c84c1477c364d7380
dc.identifier.uri http://hdl.handle.net/10204/7234
dc.description Copyright: 2014 Elsevier. This is the post print version of the work. The definitive version is published in Sustainable Energy Technologies and Assessments, vol. 5, 44-49 en_US
dc.description.abstract Pristine and Al-doped lithium manganese oxide (LiAlxMn2-xO4) spinel cathode materials were successfully synthesized by combustion method using urea as reducer and fuel. The structural and electrochemical properties of the as-synthesized powders were characterized using scanning electron microscopy, x-ray diffraction, energy dispersive spectroscopy and charge/discharge testing. The effect of aluminium doping on the discharge capacity was studied for different aluminium concentration x= 0, 0.05, 0.1 and 0.5. The as-synthesized Al doped samples LiAl0.05Mn1.95O4 and LiAl0.1Mn1.9O4 exhibited higher discharge capacity for the first two cycles compared to the first cycle discharge capacity of pristine LiMn2O4. The first-principles calculations predict an increase in lattice parameter for x=0.05 and 0.1 to be responsible for the increase in first cycle discharge capacity for x=0.05 and 0.1. In addition, we have found that LiAl0.5Mn1.5O4 sample exhibited the more stable capacity than the other samples. en_US
dc.description.uri https://www.sciencedirect.com/science/article/pii/S2213138813000829
dc.description.uri https://doi.org/10.1016/j.seta.2013.11.005
dc.language.iso en en_US
dc.publisher Elsevier en_US
dc.relation.ispartofseries Workflow;12071
dc.subject Combustion method en_US
dc.subject Ab initio calculations en_US
dc.subject Li battery en_US
dc.title Structural and electrochemical properties of aluminium doped LiMn2O4 cathode materials for Li battery: experimental and ab initio calculations en_US
dc.type Article en_US
dc.identifier.apacitation Kebede, M. A., Phasha, M., Kunjuzwa, N., Le Roux, L. J., Mkhonto, D., Ozoemena, K., & Mathe, M. K. (2014). Structural and electrochemical properties of aluminium doped LiMn2O4 cathode materials for Li battery: experimental and ab initio calculations. http://hdl.handle.net/10204/7234 en_ZA
dc.identifier.chicagocitation Kebede, Mesfin A, MJ Phasha, N Kunjuzwa, Lukas J Le Roux, D Mkhonto, KI Ozoemena, and Mahlanyane K Mathe "Structural and electrochemical properties of aluminium doped LiMn2O4 cathode materials for Li battery: experimental and ab initio calculations." (2014) http://hdl.handle.net/10204/7234 en_ZA
dc.identifier.vancouvercitation Kebede MA, Phasha M, Kunjuzwa N, Le Roux LJ, Mkhonto D, Ozoemena K, et al. Structural and electrochemical properties of aluminium doped LiMn2O4 cathode materials for Li battery: experimental and ab initio calculations. 2014; http://hdl.handle.net/10204/7234. en_ZA
dc.identifier.ris TY - Article AU - Kebede, Mesfin A AU - Phasha, MJ AU - Kunjuzwa, N AU - Le Roux, Lukas J AU - Mkhonto, D AU - Ozoemena, KI AU - Mathe, Mahlanyane K AB - Pristine and Al-doped lithium manganese oxide (LiAlxMn2-xO4) spinel cathode materials were successfully synthesized by combustion method using urea as reducer and fuel. The structural and electrochemical properties of the as-synthesized powders were characterized using scanning electron microscopy, x-ray diffraction, energy dispersive spectroscopy and charge/discharge testing. The effect of aluminium doping on the discharge capacity was studied for different aluminium concentration x= 0, 0.05, 0.1 and 0.5. The as-synthesized Al doped samples LiAl0.05Mn1.95O4 and LiAl0.1Mn1.9O4 exhibited higher discharge capacity for the first two cycles compared to the first cycle discharge capacity of pristine LiMn2O4. The first-principles calculations predict an increase in lattice parameter for x=0.05 and 0.1 to be responsible for the increase in first cycle discharge capacity for x=0.05 and 0.1. In addition, we have found that LiAl0.5Mn1.5O4 sample exhibited the more stable capacity than the other samples. DA - 2014-03 DB - ResearchSpace DP - CSIR KW - Combustion method KW - Ab initio calculations KW - Li battery LK - https://researchspace.csir.co.za PY - 2014 SM - 2213-1388 T1 - Structural and electrochemical properties of aluminium doped LiMn2O4 cathode materials for Li battery: experimental and ab initio calculations TI - Structural and electrochemical properties of aluminium doped LiMn2O4 cathode materials for Li battery: experimental and ab initio calculations UR - http://hdl.handle.net/10204/7234 ER - en_ZA


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