Electronic structures of LiFePO4 and related materials - Wake Forest ...

More documents

Recommendations

Info

$Math 733: Vector Fields, Differential Forms, and Cohomology$

Accumulated number of papers on LiFePO 4(Estimated from the number of citations of the original articles:“Phospho-olivines as positive-electrode materials for rechargeable lithium batteries”, A. K.Padhi, K. S. Nanjundaswamy, and J. B. Goodenough, JECS 144 1188, (1997); “Effect ofstructure on the Fe 3+ /Fe 2+ redox couple in iron phosphates”, A. K. Padhi, K. S.Nanjundaswamy, C. Masquelier, S. Okada, and J. B. Goodenough, JECS 144 1609, (1997)400Accumulated citations300200100019982000year2002200420066
Commercial use of LiFePO 4 ???(pure speculation)In 2001, Professor Yet-Ming Chiang, Department of Materials Science andEngineering, M. I. T. co-founded A123Systems, a startup company involved withdeveloping, manufacturing, and marketing batteries based on lithium metalphosphate. (http://www.a123systems.com)Watertown, Mass. November 2,2005:A123Systems, developer of a new generationof Lithium-ion batteries, today unveiledits technology and announced thatit is delivering batteries with unprecedentedpower, safety, and life as comparedto conventional Lithium technology.A123Systems first battery is now in productionand being delivered to the Black& Decker Corporation (NYSE: BDK). Itwill be first utilized by the corporation’sDEWALT brand, a leading manufacturerof power tools.7
Page 1 and 2: Electronic structures ofLiFePO 4 an
Page 3 and 4: Diagram of discharge operation for
Page 5: J. Electrochem. Soc. 144 1188, (199
Page 9 and 10: Calculational methodsMethodPAWpwpaw
Page 11 and 12: Details on constructing the PAW bas
Page 13 and 14: Test results for simple oxides∆E
Page 15 and 16: FePO 4 and LiFePO 4in olivine (Pnma
Page 17 and 18: Partial densities for majority spin
Page 19 and 20: Summary of results for FePO 4 and L
Page 21 and 22: Computational challenge1. Can we re
Page 23 and 24: Crystal structures - continued“Cr
Page 25 and 26: Internal Energy Differences(in unit
Page 27 and 28: LSDA band gaps and widths for FePO
Page 29 and 30: Li-ion diffusion mechanisms in elec
Page 31 and 32: Li + diffusion by possible vacancy
Page 33 and 34: Summary• With careful attention t

Electronic structures of LiFePO4 and related materials - Wake Forest ...

Create successful ePaper yourself

Delete template?

Save as template?