Mechanism of Ultrafast (Dis)charging of Li Ion Batteries by Heterogeneous Doping of LiFePO 4
作者： Stefan Adams , R. Prasada Rao , Haiping Choo
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摘要: Molecular dynamics (MD) simulations with a dedicated force-field and our bond valence (BV) pathway analysis have been employed to reproduce explain the experimentally observed ultrafast Li+ transport in surface modified LixFePO4-δ as consequence of heterogeneous doping, i.e. redistribution vicinity interface between LixFePO4 pyrophosphate glass layer. Over usual working temperature range LIBs ion conductivity phase is enhanced by 2-3 orders magnitude, while enhancement practically vanishes for T > 700K. Simulations bulk experimental conductivities activation energy 0.57eV (for x ≈ 1). A layer-by-layer structurally relaxed multilayer systems indicates continuous variation mobility distance from maximum close interface, but diffusion rate remains (compared values) even at center simulated cathode material crystallites. Our BV migration dynamic local structure models shows that related extension unoccupied accessible regions. The change extent Li across overall content constitutes fast pseudo-capacitive (dis)charging contribution.
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sci-hub.se 参考文章(21)
N. Sata, K. Eberman, K. Eberl, J. Maier, Mesoscopic fast ion conduction in nanometre-scale planar heterostructures Nature. ,vol. 408, pp. 946- 949 ,(2000) , 10.1038/35050047
S ADAMS, From bond valence maps to energy landscapes for mobile ions in ion-conducting solids Solid State Ionics. ,vol. 177, pp. 1625- 1630 ,(2006) , 10.1016/J.SSI.2006.03.054
J. Maier, Nanoionics: ion transport and electrochemical storage in confined systems. Nature Materials. ,vol. 4, pp. 805- 815 ,(2005) , 10.1038/NMAT1513
M Saiful Islam, Daniel J Driscoll, Craig AJ Fisher, Peter R Slater, None, Atomic-scale investigation of defects, dopants, and lithium transport in the LiFePO4 olivine-type battery material Chemistry of Materials. ,vol. 17, pp. 5085- 5092 ,(2005) , 10.1021/CM050999V
Jiajun Chen, Michael J. Vacchio, Shijun Wang, Natalya Chernova, Peter Y. Zavalij, M. Stanley Whittingham, The hydrothermal synthesis and characterization of olivines and related compounds for electrochemical applications Solid State Ionics. ,vol. 178, pp. 1676- 1693 ,(2008) , 10.1016/J.SSI.2007.10.015
Stefan Adams, Jan Swenson, Migration pathways in Ag-based superionic glasses and crystals investigated by the bond valence method Physical Review B. ,vol. 63, pp. 054201- ,(2000) , 10.1103/PHYSREVB.63.054201
Craig AJ Fisher, Veluz M Hart Prieto, M Saiful Islam, None, Lithium Battery Materials LiMPO4 (M = Mn, Fe, Co, and Ni): Insights into Defect Association, Transport Mechanisms, and Doping Behavior Chemistry of Materials. ,vol. 20, pp. 5907- 5915 ,(2008) , 10.1021/CM801262X
Byoungwoo Kang, Gerbrand Ceder, Battery materials for ultrafast charging and discharging Nature. ,vol. 458, pp. 190- 193 ,(2009) , 10.1038/NATURE07853
G. Ceder, B. Kang, Response to "unsupported claims of ultrafast charging of Li-ion batteries" Journal of Power Sources. ,vol. 194, pp. 1024- 1028 ,(2009) , 10.1016/J.JPOWSOUR.2009.07.004
Stefan Adams, Bond valence analysis of structure-property relationships in solid electrolytes Journal of Power Sources. ,vol. 159, pp. 200- 204 ,(2006) , 10.1016/J.JPOWSOUR.2006.04.085