The DOI matches its Crossref record; 24 of the 24 references it cites were found in a registry or an index.
Lithium Battery Materials Li M PO4 (M = Mn, Fe, Co, and Ni): Insights into Defect Association, Transport Mechanisms, and Doping Behavior
Abstract
The defect chemistry, doping behavior, and ion migration in olivine-type materials Li M PO 4 ( M = Mn, Fe, Co, and N) are investigated by atomistic simulation techniques. The most favorable intrinsic defect type is found to be the cation antisite defect, in which Li and M ions exchange positions. Li migration is found to occur preferentially down [010] channels, following a curved trajectory. Defect association or binding energies for pair clusters composed of combinations of lithium vacancies, antisite cations, and small polaron species are investigated. Migration energies for divalent antisite cations on Li sites suggest that such defects would impede Li diffusion in Li M PO 4 to varying degrees. Calculation of dopant substitution energies for cations with charges +1 to +5 indicate that supervalent doping (e.g., Ga 3+, Ti 4+, Nb 5+ ) on either Li or M sites is energetically unfavorable and does not result in a large increase in electronic (small polaron) species.
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Cites
Shannon, R. D. (1976) · Acta Crystallographica Section A · doi:10.1107/s0567739476001551 · Cited by 66,145
Armand, M., & Tarascon, J.-M. (2008) · Nature · doi:10.1038/451652a · Cited by 19,612
Phospho‐olivines as Positive‐Electrode Materials for Rechargeable Lithium Batteries
Padhi, A. K., Nanjundaswamy, K. S., & Goodenough, J. B. (1997) · Journal of The Electrochemical Society · doi:10.1149/1.1837571 · Cited by 7,933
Lithium Batteries and Cathode Materials
Whittingham, M. S. (2004) · Chemical Reviews · doi:10.1021/cr020731c · Cited by 6,267
Electronically conductive phospho-olivines as lithium storage electrodes
Chung, S.-Y., Bloking, J. T., & Chiang, Y.-M. (2002) · Nature Materials · doi:10.1038/nmat732 · Cited by 2,939
The General Utility Lattice Program ( GULP )
Gale, J. D., & Rohl, A. L. (2003) · Molecular Simulation · doi:10.1080/0892702031000104887 · Cited by 2,265
Islam, M. S., Driscoll, D. J., Fisher, C. A. J., & Slater, P. R. (2005) · Chemistry of Materials · doi:10.1021/cm050999v · Cited by 1,130
Self-citationLi Conductivity in Li[sub x]MPO[sub 4] (M = Mn, Fe, Co, Ni) Olivine Materials
Morgan, D., Van der Ven, A., & Ceder, G. (2004) · Electrochemical and Solid-State Letters · doi:10.1149/1.1633511 · Cited by 1,124
Nano-network electronic conduction in iron and nickel olivine phosphates
Herle, P. S., Ellis, B., Coombs, N., & Nazar, L. F. (2004) · Nature Materials · doi:10.1038/nmat1063 · Cited by 1,065
Delacourt, C., Laffont, L., Bouchet, R., Wurm, C., Leriche, J.-B., Morcrette, M., Tarascon, J.-M., & Masquelier, C. (2005) · Journal of The Electrochemical Society · doi:10.1149/1.1884787 · Cited by 619
Fast oxygen transport in acceptor doped oxides
Kilner, J. (2000) · Solid State Ionics · doi:10.1016/s0167-2738(99)00313-6 · Cited by 439
Maxisch, T., Zhou, F., & Ceder, G. (2006) · Physical Review B · doi:10.1103/physrevb.73.104301 · Cited by 364
Padhi, A. K., Nanjundaswamy, K. S., Masquelier, C., & Goodenough, J. B. (1997) · Journal of The Electrochemical Society · doi:10.1149/1.1837868 · Cited by 361
Anisotropy of Electronic and Ionic Transport in LiFePO[sub 4] Single Crystals
Amin, R., Balaya, P., & Maier, J. (2007) · Electrochemical and Solid-State Letters · doi:10.1149/1.2388240 · Cited by 316
Some transition metal (oxy)phosphates and vanadium oxides for lithium batteries
Whittingham, M. S., Song, Y., Lutta, S., Zavalij, P. Y., & Chernova, N. A. (2005) · Journal of Materials Chemistry · doi:10.1039/b501961c · Cited by 296
Ammundsen, B., Burns, G. R., Islam, M. S., Kanoh, H., & Rozière, J. (1999) · The Journal of Physical Chemistry B · doi:10.1021/jp984398l · Cited by 260
Self-citationSmall Polaron Hopping in LixFePO4 Solid Solutions: Coupled Lithium-Ion and Electron Mobility
Ellis, B., Perry, L. K., Ryan, D. H., & Nazar, L. F. (2006) · Journal of the American Chemical Society · doi:10.1021/ja0614114 · Cited by 220
Theoretical evaluation of high-energy lithium metal phosphate cathode materials in Li-ion batteries
Howard, W. F., & Spotnitz, R. M. (2007) · Journal of Power Sources · doi:10.1016/j.jpowsour.2006.12.046 · Cited by 185
Atomic-Scale Visualization of Antisite Defects inLiFePO4
Chung, S.-Y., Choi, S.-Y., Yamamoto, T., & Ikuhara, Y. (2008) · Physical Review Letters · doi:10.1103/physrevlett.100.125502 · Cited by 176
Ellis, B. L., Herle, P. S., Rho, Y. H., Nazar, L. F., Dunlap, R. A., Perry, L. K., & Ryan, D. H. (2006) · Faraday Discussions · doi:10.1039/b602698b · Cited by 124
Insight into Doping Effects in Apatite Silicate Ionic Conductors
Tolchard, J. R., Slater, P. R., & Islam, M. S. (2007) · Advanced Functional Materials · doi:10.1002/adfm.200600789 · Cited by 87
Self-citationComputational Studies of Aluminum Phosphate Polymorphs
Henson, N. J., Cheetham, A. K., & Gale, J. D. (1996) · Chemistry of Materials · doi:10.1021/cm9503238 · Cited by 83
Mather, G. C., Islam, M. S., & Figueiredo, F. M. (2007) · Advanced Functional Materials · doi:10.1002/adfm.200600632 · Cited by 67
Self-citationSintering kinetics of 8Y–cubic zirconia: Cation diffusion coefficient
Suárez, G., Garrido, L. B., & Aglietti, E. F. (2008) · Materials Chemistry and Physics · doi:10.1016/j.matchemphys.2008.02.021 · Cited by 31
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Ryu, H.-H., Sun, H. H., Myung, S.-T., Yoon, C. S., & Sun, Y.-K. (2021) · Energy & Environmental Science · doi:10.1039/d0ee03581e · Cited by 331
Chakraborty, A., Kunnikuruvan, S., Kumar, S., Markovsky, B., Aurbach, D., Dixit, M., & Major, D. T. (2020) · Chemistry of Materials · doi:10.1021/acs.chemmater.9b04066 · Cited by 322
Calculations of Li-Ion Diffusion in Olivine Phosphates
Dathar, G. K. P., Sheppard, D., Stevenson, K. J., & Henkelman, G. (2011) · Chemistry of Materials · doi:10.1021/cm201604g · Cited by 307
Chen, S., Tang, Q., Chen, X., & Tan, L. (2015) · New Journal of Chemistry · doi:10.1039/c5nj02090e · Cited by 16
Metadata
- Authors
- Fisher, C. A. J., Hart Prieto, V. M., & Islam, M. S.
- Venue
- Chemistry of Materials
- Publisher
- American Chemical Society (ACS)
- Published
- 2008-08-26
- Volume
- 20
- Issue
- 18
- Pages
- 5907-5915
- ISSN
- 0897-4756 (ISSN-L)
- 1520-5002
- OpenAlex
- W2009930960
- Cited by
- 549
- References
- 24
- FWCI
- 20.32
- Type
- journal article
- Language
- en
- Open access
- closed
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