Ab initio investigation of the Jahn–Teller distortion effect on the stabilizing lithium intercalated compounds

Amriou, T.; Khelifa, B.; Aourag, H.; Aouadi, Sassi; Mathieu, C.

doi:10.1016/j.matchemphys.2005.01.061

Cited by 20 publications

(9 citation statements)

References 30 publications

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“…In this case, the best fit of the first two peaks corresponding to the Mn-O distances in the spectrum of the completely oxidized reference compound C-Fe 0.33 Mn 0.67 PO 4 is obtained by using three Mn-O shells at 0.185 nm, 0.212 nm and 0.255 nm counting for 2 O atoms each, evidencing a very strong deformation of the Mn-O environment upon oxidation. This strong variation can be ascribed to the occurrence of the Jahn-Teller effect in this kind of materials [30] that is typical of transition metal in the d 4 electron configurations such as Mn 3 þ . The very large distance of 0.255 nm for two O atoms is however quite unexpected, since the Jahn-Teller effect usually provokes much smaller variations in bond distances.…”

Section: Fe 2p and Mn 2p Xps Analysismentioning

confidence: 88%

Study of C-coated LiFe0.33Mn0.67PO4 as positive electrode material for Li-ion batteries

Péréa

Castro

Aldon

et al. 2012

Journal of Solid State Chemistry

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Section: Fe 2p and Mn 2p Xps Analysismentioning

confidence: 88%

Study of C-coated LiFe0.33Mn0.67PO4 as positive electrode material for Li-ion batteries

Péréa

Castro

Aldon

et al. 2012

Journal of Solid State Chemistry

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“…In order to overcome this problem, LiCoO 2 is replaced by a mixture of cobalt and nickel. The most used composition is LiCo 0.2 Ni 0.8 O 2 [48]. Here, nickel is significantly cheaper than cobalt and the battery cost can be reduced [49].…”

Section: Figurementioning

confidence: 99%

“…The assessment and characterization of RESS is a hard task. It can be performed at different ways as proposed by the references [21,25,[34][35][36][37][38][39][40][41][42][43][44][45][46][47][48][49]. As mentioned before, these methodologies aim to analyze limited specific parameters.…”

Section: Figurementioning

confidence: 99%

Rechargeable Energy Storage Systems for Plug-in Hybrid Electric Vehicles—Assessment of Electrical Characteristics

et al. 2012

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Abstract:In this paper, the performances of various lithium-ion chemistries for use in plug-in hybrid electric vehicles have been investigated and compared to several other rechargeable energy storage systems technologies such as lead-acid, nickel-metal hydride and electrical-double layer capacitors. The analysis has shown the beneficial properties of lithium-ion in the terms of energy density, power density and rate capabilities. Particularly, the nickel manganese cobalt oxide cathode stands out with the high energy density up to 160 Wh/kg, compared to 70-110, 90 and 71 Wh/kg for lithium iron phosphate cathode, lithium nickel cobalt aluminum cathode and, lithium titanate oxide anode battery cells, respectively. These values are considerably higher than the lead-acid (23-28 Wh/kg) and nickel-metal hydride (44-53 Wh/kg) battery technologies. The dynamic discharge performance test shows that the energy efficiency of the lithium-ion batteries is significantly higher than the lead-acid and nickel-metal hydride technologies. The efficiency varies between 86% and 98%, with the best values obtained by pouch battery cells, ahead of cylindrical and prismatic battery design concepts. Also the power capacity of lithium-ion technology is superior compared to other technologies. The power density is in the range of 300-2400 W/kg against 200-400 and 90-120 W/kg for lead-acid and nickel-metal hydride, respectively. However, considering the influence of energy efficiency, the power density is in the range of 100-1150 W/kg. Lithium-ion batteries optimized for high energy are at the OPEN ACCESSEnergies 2012, 5 2953 lower end of this range and are challenged to meet the United States Advanced Battery Consortium, SuperLIB and Massachusetts Institute of Technology goals. Their association with electric-double layer capacitors, which have low energy density (4-6 Wh/kg) but outstanding power capabilities, could be very interesting. The study of the rate capability of the lithium-ion batteries has allowed for a new state of charge estimation, encompassing all essential performance parameters. The rate capabilities tests are reflected by Peukert constants, which are significantly lower for lithium-ion batteries than for nickel-metal hydride and lead-acid. Furthermore, rate capabilities during charging have been investigated. Lithium-ion batteries are able to store about 80% of the capacity at current rate 2I t , with high power cells accepting over 90%. At higher charging rates of 5I t or more, the internal resistance impedes charge acceptance by high energy cells. The lithium titanate anode, due to its high surface area (100 m 2 /g compared to 3 m 2 /g for the graphite based anode) performs much better in this respect. The behavior of lithium-ion batteries has been investigated at different conditions. The analysis has leaded us to a new lithium ion battery model. This model will be compared to existing battery models in future research contributions.

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“…[39,43,44] For anodes, the carbonaceous materials such as bulk/powder graphite, carbon black, and graphene are widely applied to LIB cells due to their layered structure and high reversibility of lithium insertions; [43,45] For cathode, lithium transition metal oxides (LTMOs) [6] are favorable to be selected, because of their layered structure, high theoretical specific capacity, high electrochemical potential versus Li/Li + , acceptable reaction reversibility, among others. [3,46] There are several LTMOs such as LiCoO 2 , [47,48] LiNiO 2 , [49] Li(Ni 1/3 Mn 1/3 Co 1/3 )O 2 , [50] LiMn 2 O 4 , [51] LiFePO 4 , [52] which have become common cathode materials of LIBs cells for nearly two decades. Nevertheless, the restricted capacity and cyclic performance of such bulk-sized conventional LTMOs cathode materials prompt to discover novel micro-and nano-structures in order to improve the performance of LIB cells.…”

Section: Introductionmentioning

confidence: 99%

Micro‐ and Nano‐Structured Vanadium Pentoxide (V₂O₅) for Electrodes of Lithium‐Ion Batteries

Yue

Liang

2017

Advanced Energy Materials

308

175

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deficiency. The exclusive research and industrial focus on the development of new energy sources cannot meet the current energy demands. The main reason is lack of efficient storage of the collected energy. Because the consumption rate of generated energy usually cannot be synchronized with the rate of generation. Fortunately, this problem has received attention from researchers and engineers around the world. Electrochemical energy storage devices (EESDs) [1,2] are competitive candidates for energy storage. Lithiumion batteries (LIBs), [3][4][5][6][7][8][9][10][11] electron double layer capacitors (EDLCs) as well as pseudocapacitors (PCs), [12][13][14][15][16][17] lithium-sulfur (Li-S) batteries, [18][19][20][21][22] lithium-air (Li-air) or lithium-oxygen (Li-O 2 ) batteries, [23][24][25][26][27][28][29] sodium-ion batteries, [30][31][32][33] magnesium-ion batteries, [34] lithium solid state batteries, [35] among others are currently popular EESDs. Among those devices, lithium-ion batteries are of great interest. Since being initially commercialized by Sony, Inc. in 1990, [36] for more than a quarter of a century, the lithium-ion battery has become a popular, portable, and rechargeable second battery used in various applications such as personal electronic devices, [37] electric vehicles, [38] hybrid electric vehicles, [39] and smart grids. [40] To date, it is still needed to further improve the electrochemical performance of lithium-ion batteries. The fabrication of novel and reliable electrode materials is critical for further development of better lithium-ion batteries.A lithium-ion battery cell usually includes components of a solid-state positive electrode (cathode), a solid-state negative electrode (anode), some lithium-ion included liquidstate electrolyte (can be either non-aqueous or aqueous [41] ), a polymeric separator, and a pair of the current collectors with encapsulated cases. [3] If an external voltage applied to both electrodes, lithium ions are deintercalated from cathode to anode through the electrolyte, so called the charging process; when there is an external loading applied to both electrodes, lithium ions are intercalated into unlithiated cathode from lithiated anode through the electrolyte again, i.e., the discharging process. [3,39,42] The discharging procedure of a LIB cell is shown in Figure 1. [39] The role of the porous separator is to prevent the short circuit inside a cell. As the most significant components of one lithium-ion battery cell, the properties of both cathode and anode materials determine the electrochemical energy storage ability of the cell. Therefore, the selection of Vanadium pentoxide (V 2 O 5 ) has played important roles in lithium-ion batteries due to its unique crystalline structure. To assist researchers understanding the roles this material plays, a comprehensive and critical review is conducted based on about 250 publications. Here, we report basics and applications of micro-and nano-materials of V 2 O 5 and V 2 O 5 -based composites. The comparative and stati...

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Ab initio investigation of the Jahn–Teller distortion effect on the stabilizing lithium intercalated compounds

Cited by 20 publications

References 30 publications

Study of C-coated LiFe0.33Mn0.67PO4 as positive electrode material for Li-ion batteries

Study of C-coated LiFe0.33Mn0.67PO4 as positive electrode material for Li-ion batteries

Rechargeable Energy Storage Systems for Plug-in Hybrid Electric Vehicles—Assessment of Electrical Characteristics

Micro‐ and Nano‐Structured Vanadium Pentoxide (V₂O₅) for Electrodes of Lithium‐Ion Batteries

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Ab initio investigation of the Jahn–Teller distortion effect on the stabilizing lithium intercalated compounds

Cited by 20 publications

References 30 publications

Study of C-coated LiFe0.33Mn0.67PO4 as positive electrode material for Li-ion batteries

Study of C-coated LiFe0.33Mn0.67PO4 as positive electrode material for Li-ion batteries

Rechargeable Energy Storage Systems for Plug-in Hybrid Electric Vehicles—Assessment of Electrical Characteristics

Micro‐ and Nano‐Structured Vanadium Pentoxide (V2O5) for Electrodes of Lithium‐Ion Batteries

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Product

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Micro‐ and Nano‐Structured Vanadium Pentoxide (V₂O₅) for Electrodes of Lithium‐Ion Batteries