2003
DOI: 10.1021/jp0265337
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Local Structural Studies of LiCryMn2-yO4 Cathode Materials for Li-Ion Batteries

Abstract: The local crystal structure of a spinel-type solid solution, LiCr y Mn2 - y O4 has been studied by molecular dynamics (MD) and extended X-ray absorption fine structure (EXAFS), respectively. The MD simulation was carried out using a partially ionic model, and the relevant potential parameters were optimized. The simulated compositional dependence of lattice parameters and thermal expansion coefficients were found to be reproducible with experimental values. From the simulation results, the pair correlation fu… Show more

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Cited by 31 publications
(40 citation statements)
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“…Many reports have emphasized on the influence of the nanosized particles on the better electrochemical performance of LiMn 2 O 4 [3,4,[28][29][30]. In addition to bare LiMn 2 O 4 , studies on different doping elements like Co, Cr, Al, Ni, Fe, Ru, etc., are reported in literatures [19,[31][32][33][34][35][36]. In the present work, nanoand submicron sized bare and doped LiMn 2 O 4 compounds have been prepared by means of polymer precursor method using the polymer, polyvinylpyrrolidone (PVP) under similar preparation conditions.…”
Section: Introductionmentioning
confidence: 99%
“…Many reports have emphasized on the influence of the nanosized particles on the better electrochemical performance of LiMn 2 O 4 [3,4,[28][29][30]. In addition to bare LiMn 2 O 4 , studies on different doping elements like Co, Cr, Al, Ni, Fe, Ru, etc., are reported in literatures [19,[31][32][33][34][35][36]. In the present work, nanoand submicron sized bare and doped LiMn 2 O 4 compounds have been prepared by means of polymer precursor method using the polymer, polyvinylpyrrolidone (PVP) under similar preparation conditions.…”
Section: Introductionmentioning
confidence: 99%
“…Cations of Li, B, Mg, Al, Fe, Co, Ni and Zn have been investigated as possible dopants. 11,[148][149][150][151][152] Among these doped LiMn 2 O 4 materials, LiNi 0.5 Mn 1.5 O 2 is one of the most studied. [153][154][155][156] The presence of Ni stabilizes the octahedral spinel sites and although the intercalation of lithium decreases the average valence of manganese to values below 4.5, the distortion of the tetrahedral phase is not observed.…”
Section: Manganese Oxidesmentioning
confidence: 99%
“…Spinel LiMn 2 O 4 has been reported to possess specific advantages of its low internal resistance, long cycle life, fast charging time, high cell voltage, high load current, and high thermal stability as a cathode material for lithium-ion batteries [1][2][3][4][5][6][7]. Particularly, sustaining the internal cell resistance at low levels is the key to obtaining a high rate-capability that has been required for the fastcharging and high-current discharging.…”
Section: Introductionmentioning
confidence: 99%
“…Many studies were investigated to avoid the unwanted phase transition by adopting unusual dopings or substitutions including transition metals, such as Ti, Cr, Co and Ni, and other elements, i.e., Mg and Al [4][5][6][7][8][9]. As an alternative choice, the substitution of heavy elements like W and Er were also studied with limited success due to their relatively large atomic or ionic size [10,11].…”
Section: Introductionmentioning
confidence: 99%