Arroyo de Dompablo, M.E.

Braun, C.

Ehrenberg, H.

Falkenberg, F.

Gallardo-Amores, J.M.

Nikolowski, K.

Yavuz, N.K.

English

Yavuz, N. K.

Gallardo-Amores, J. M.

Arroyo de Dompablo, M. E.

KITopen

High-Pressure Investigations of spinel-type LiNi 0.5Mn1.5O4 as a cathode materialC. Braun,[a,b]* N. Kiziltas Yavuz,[b] K. Nikolowski,[b] F. Falkenberg,[c] J.M. Gallardo-Amores,[d] M. E. Arroyo de Dompablo,[d] H. Ehrenberg[b][a] Technische Universität Dresden, Institut für Werkstoffwissenschaft (IfWW), D-01062 Dresden, Germany.[b] Karlsruher Institut für Technologie (KIT), Institut für Angewandte Materialien (IAM), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen[c] Max-Planck-Institut für Festkörperforschung, Heisenbergstraße 1, 70569 Stuttgart, Germany[d] Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040 Madrid, Spain[1]    M. E. Arroyo de Dompablo, N. Biskup, J.M. Gallardo-Amores, E. Morán, H. Ehrenberg, U. Amador, Chem. Mater.  2010, 22, 994.[2]    M. E. Arroyo de Dompablo, J.M. Gallardo-Amores, U. Amador, Electrochem. Solid St. 2005, 8, A564-A569.[3]    M. E. Arroyo de Dompablo, J. M. Gallardo-Amores, U. Amador, E. Morán, Electrochem. Commun.  2007,9, 1305-1310.[4]    M. E. Arroyo de Dompablo, U. Amador, J.M. Gallardo-Amores, E. Morán, H. Ehrenberg, L. Dupont, R. Dominko, J. Power Sources 2009, 189, 638.[5]    M. E. Arroyo de Dompablo, R. Dominko, J.M. Gallardo-Amores, L. Dupont, G. Mali, H. Ehrenberg, J. Jamnik, E. Moran, Chem Mater 2008, 20, 5574-5584.IntroductionNew synthesis strategies are needed to prepare novel electrode materials for lithium-ion batteries. High-pressure / high-temperature routes are widely used within other fields of Solid State Chemistry to induce structural transformations of materials, conducting to novel polymorphs possessing structures not accessible at ambient pressure. The high pressure treatment changes both the crystal structure as well as the electronic characteristics of the material. High pressure driven transformations of several electrode materials have been studied and reported, for example LixFePO4,[1,2] V2O5,[3] Li2MSiO4 (M = Mn, Co).[4,5] It is proven that after exposure to high pressure/high temperature conditions, the electrochemical prope ties varied compared to the ambient pressure matrials. For LiMn2O4 various studies report structural examinations at high pressure of these spinel phase[6-10]. But, only little is known about the electrochemical behaviour of these phases, when they are used as intercalation compounds for an electrode in a lithium ion battery.[10] The high pressure phase of LiMn2O4[10] was identified as the CaFe2O4-(Calciumferrite)structure type, which is approximately 6% more dense than the spinelstructuretype. The partial substitution of Mn in LiMn2O4 by transition metal ions, such as e.g. Ni, was shown to result in the electrochemical activity at potentials close to 5 V vs Li/Li+. [11] In this work we investigate the pressure driven structural and electrochemical modifications of spinel LiTM2O4 (TM = transition metal) cathode materials.Experimental Approach:Comparison of HP-LiNi0.5Mn1.5O4 and HP-LiMn 2O4[10]High-pressure experiments are performed in a 1000 tons Walker-type multianvil press. The figure shows the step by step process of mounting the assembley.Multianvil-Press Diffraction pattern of HP treated LiNi 0.5Mn1.5O4Phase transition of „LiNi0.5Mn 1.5O4“ (CaFe2O4-type) after 18 GPa .Observed (circles) and calculated (line) X-ray powder diffraction pattern together with theirdifference curve after Rietveld refinement (λ = 0.70926 Å). The two upper lines of reflectionmarks corresponds to rocksalt type (Li,Ni)O and (Li,Mn)Oand the lower line to HP-LiNi 0.5Mn1.5O4. * At least 4 weak reflections belong to one unidentified phase.Spacegroupformula mass                             lattice parameterscell volumeX-ray densityPnma (No.62)182.56  g · mol-1a =  8.7669(9) Åb =  2.8482(3) Åc = 10.3612(10) ÅV = 258.71 Å34.63  g · cm-3Crystallographic data of HP-LiNi 0.5Mn1.5O4Wyckoff sites of „HP-LiNi 0.5Mn1.5O4“Atom   Wyck.           x                    y                 zLi            4c 0.27800            1/4             0.37000Mn1/Ni   4c 0.0637(15)       1/4             0.1198(15)Mn2/Ni   4c 0.0784(15)       1/4             0.6011(12)O1           4c 0.270(5)           1/4             0.674(4)O2           4c 0.390(4)           1/4             0.882(5)O3           4c 0.430(5)           1/4             0.189(3)O4           4c 0.137(5)           1/4             0.921(4)HP-LiMn 2O4[10]: view along [010]acSpacegroupformula mass                             lattice parameterscell volumeX-ray densityPnma (No.62)180.93 g · mol-1a = 8.8336(5) Åb = 2.83387(18) Åc = 10.6535(7) ÅV = 266.69 Å34.49  g · cm-3Crystallographic data of HP-LiMn 2O4Wyckoff sites of HP-LiMn 2O4Atom   Wyck.           x                    y                 zLi            4c 0.278(4)            1/4             0.370(4)Mn1        4c 0.0584(10))       1/4             0.1188(8)Mn2        4c 0.0828(8)          1/4             0.6082(6)O1           4c 0.3061(6)          1/4             0.6508(6)O2           4c 0.3801(9)          1/4             0.9799(6)O3           4c 0.4764(8)          1/4             0.2072(6) O4           4c        0.0707(8)          1/4             0.9269(6)CaFe2O4 Structure type[6]    P. Piszora, W. Nowicki, J. Darul, B. Bojanowski, S. Carlson, Y. Cerenius, Radiat. Phys. Chem. 2009, 78, S89-S92.[7]     J. Darul, W. Nowicki, C. Lathe, P. Piszora, Radiat. Phys. Chem. 2011, 80, 1014-1018.[8]     A. Paolone, A. Sacchetti, P. Postorino, R. Cantelli, A. Congeduti, G. Rousse, C. Masquelier, Solid State Ionics2005, 176, 635-639.[9]     K. Tokiwa, K. Matsukura, S. Kasahara, S. Tsuda, S. Mikusu, K. Takeuchi, A. Iyo, Y. Tanaka, J. Akimoto, J. Awaka, N. Kijima, Y. Takahashi, T. Watanabe, J. Phys.: Conf. Ser. 2009, 150, 042210.[10]  K. Yamaura, Q. Huang, L. Zhang, K. Takada, Y. Baba, T. Nagai, Y. Matsui, K.  Kosuda, E. Takayama-Muromachi,J. Am. Chem. Soc. 2006, 128, 9448-9456.[11] A. Bhaskar, N. N. Bramnik,  A. Senyshyn, H. Fuess, H. Ehrenberg J. Electrochem. Soc.2010,157, A689-A695.****

High-pressure investigations of spinel-type LiNi₀̣₅Mn₁̣₅O₄ as a cathode material

https://publikationen.bibliothek.kit.edu/220091810/3816300

High-pressure investigations of spinel-type LiNi₀̣₅Mn₁̣₅O₄ as a cathode material

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