Transport, phase reactions, and hysteresis of iron fluoride and oxyfluoride conversion electrode materials for lithium batteries

ACS Applied Materials and Interfaces

Volumn 6, Issue 14, 2014, Pages 10858-10869

  Ko, Jonathan K ^a   Wiaderek, Kamila M ^b   Pereira, Nathalie ^a   Kinnibrugh, Tiffany L ^b   Kim, Joshua R ^a   Chupas, Peter J ^b   Chapman, Karena W ^b   Amatucci, Glenn G ^a  

^a The State University of New Jersey   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

battery; hysteresis; iron fluoride; lithium; PITT; transport

Indexed keywords

DIFFUSION; ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY; FLUORINE COMPOUNDS; LITHIUM; LITHIUM BATTERIES; OXIDE MINERALS; PITTING;

BATTERY; COEFFICIENT MEASUREMENT; CONVERSION ELECTRODE MATERIALS; CONVERSION REACTIONS; IRON FLUORIDES; PAIR DISTRIBUTION FUNCTIONS; POTENTIOSTATIC INTERMITTENT TITRATION TECHNIQUES; TRANSPORT;

HYSTERESIS;

EID: 84905003332     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/am500538b     Document Type: Review

References (43)

1. Wang, F.; Robert, R.; Chernova, N. A.; Pereira, N.; Omenya, F.; Badway, F.; Hua, X.; Ruotolo, M.; Zhang, R.; Wu, L.; Volkov, V.; Su, D.; Key, B.; Whittingham, M. S.; Grey, C. P.; Amatucci, G. G.; Zhu, Y.; Graetz, J. Conversion Reaction Mechanisms in Lithium Ion Batteries: Study of the Binary Metal Fluoride Electrodes J. Am. Chem. Soc. 2011, 133, 18828-18836
2. 2 Films for Lithium Batteries Electrochim. Acta 2014, 125, 71-82
3. Poizot, P.; Laruelle, S.; Grugeon, S.; Tarascon, J. M. Rationalization of the Low-Potential Reactivity of 3s-Metal-Based Inorganic Compounds toward Li J. Electrochem. Soc. 2002, 149 (9) A1212-A1217
4. Badway, F.; Cosandey, F.; Pereira, N.; Amatucci, G. G. Carbon Metal Fluoride Nanocomposites High-Capacity Reversible Metal Fluoride Conversion Materials as Rechargeable Positive Electrodes for Li Batteries J. Electrochem. Soc. 2003, 150 (10) A1318-A1327
5. Badway, F.; Mansour, A. N.; Pereira, N.; Al-Sharab, J. F.; Cosandey, F.; Plitz, I.; Amatucci, G. G. Structure and Electrochemistry of Copper Fluoride Nanocomposites Utilizing Mixed Conducting Matrices Chem. Mater. 2007, 19 (17) 4129-4141
6. Bervas, M.; Badway, F.; Klein, L. C.; Amatucci, G. G. Bismuth Fluoride Nanocomposite as a Positive Electrode Material for Rechargeable Lithium Batteries Electrochem. Solid-State Lett. 2005, 8 (4) A179-A183
7. Doe, R. E.; Persson, K. A.; Meng, Y. S.; Ceder, G. First-Principles Investigation of the Li-Fe-F Phase Diagram and Equilibrium and Nonequilibrium Conversion Reactions of Iron Fluorides with Lithium Chem. Mater. 2008, 20, 5274-5283
8. Dreyer, W.; Jamnik, J.; Guhlke, C.; Huth, R.; Moskon, J.; Gaberscek, M. The thermodynamic origin of hysteresis in insertion batteries Nat. Mater. 2010, 9, 448-453
9. Moskon, J.; Jamnik, J.; Gaberscek, M. In depth discussion of selected phenomena associated with intrinsic bettery hysteresis: Battery electrode versus rubber balloons Solid State Ionics 2013, 238, 24-29
10. 3Sb J. Electrochem. Soc. 1977, 124 (10) 1569-1578
11. Wen, C. J.; Boukamp, B. A.; Huggins, R. A.; Weppner, W. Thermodynamic and Mass Transport Properties of LiAl J. Electrochem. Soc. 1979, 126 (12) 2258-2266
12. Ho, C.; Raistrick, I. D.; Huggins, R. A. Application of A-C Techniques to the Study of Lithium Diffusion in Tungsten Trioxide Thin Films Electrochem. Sci. Technol. 1980, 127, 343-350
13. Pereira, N.; Badway, F.; Wartelsky, M.; Gunn, S.; Amatucci, G. G. Iron Oxyfluorides as High Capacity Cathode Materials for Lithium Batteries J. Electrochem. Soc. 2009, 156, A407-A416
14. Gozdz, A. S.; Schmutz, C.; Tarascon, J. M.; Warren, P. Polymetric Electrolytic Cell Seperator Membrane. U.S. Patent 5-418-091 May 23, 1995.
15. Montella, C. Discussion of the potential step method for the determination of the diffusion coefficients of guest species in host materials Part I. Influence of charge transfer kinetics and ohmic potential drop J. Electroanal. Chem. 2002, 518, 61-83
16. Vorotyntsev, M. A.; Levi, M. D.; Aurbach, D. Spatially limited diffusion coupled with ohmic potential drop and/or slow interfacial exchange: a new method to determine the diffusion time constant and external resistance from potential step (PITT) experiments J. Electroanal. Chem. 2004, 572, 299-307
17. Chupas, P. J.; Qiu, X.; Hanson, J. C.; Lee, P. L.; Grey, C. P.; Billinge, S. J. L. Rapid-aquisition pair distribution function (RA-PDF) analysis J. Appl. Crystallogr. 2003, 36, 1342-1347
18. Chupas, P. J.; Chapman, K. W.; Lee, P. L. Applications of an amorphous silicon-based area detector for high-resolution, high-sensitivity and fast time-resolved pair distribution function measurements J. Appl. Crystallogr. 2007, 40, 463-470
19. Hammersley, A. P.; Svensson, S. O.; Hanfland, M.; Fitch, A. N.; Hausermann, D. Two-Dimensional Detector Software: From Real Detector to Idealised Image or Two-Theta Scan High Pressure Res. 1996, 14, 235-248
20. Hammersley, A. P. FIT2D: An Introduction and Overview; ESRF internal report ESRF97HA02T; European Synchrotron Research Foundation: Grenoble, France, 1997.
21. Qiu, X.; Thompson, J. W.; Billinge, S. J. L. PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data J. Appl. Crystallogr. 2004, 37, 678
22. Farrow, C. L.; Juhas, P.; Liu, J. W.; Bryndin, D.; Bozin, E. S.; Bloch, J.; Proffen, T.; Billinge, S. J. L. PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals J. Phys.: Condens. Matter 2007, 19, 33
23. Yamakawa, N.; Jiang, M.; Key, B.; Grey, C. P. Identifying the Local Structures Formed during Lithiation of the Conversion Materials, Iron Fluoride, in a Li Ion Battery: A Solid-State NMR, X-ray Diffraction, and Pair Distribution Function Analysis Study J. Am. Chem. Soc. 2009, 131, 10525-10536
24. Xu, K.; Angell, C. A. High Anodic Stability of a New Electrolyte Solvent: Unsymmetric Noncyclic Aliphatic Sulfone J. Electrochem. Soc. 1998, 145 (4) L70-L72
25. Liu, P.; Vajo, J. J.; Wang, J. S.; Li, W.; Liu, J. Thermodynamics and Kinetics of the Li/FeF3 Reaction by Electrochemical Analysis J. Phys. Chem. C 2012, 116, 6467-6473
26. Wiaderek, K. M.; Borkiewicz, O. J.; Castillo-Martinez, E.; Robert, R.; Pereira, N.; Amatucci, G. G.; Grey, C. P.; Chupas, P. J.; Chapman, K. W. Comprehensive Insights into the Structural and Chemical Changes in Mixed-Anion FeOF Electrodes by Using Operando PDF and NMR Spectroscopy J. Am. Chem. Soc. 2013, 135, 4070-4078
27. Chevrier, V. L.; Hautier, G.; Ong, S. P.; Doe, R. E.; Ceder, G. First-principles study of iron oxyfluorides and lithiation of FeOF Phys. Rev. B:Condens. Matter Mater. Phys. 2013, 87, 094118-0941-9
28. Cosandey, F.; Su, D.; Sina, M.; Pereira, N.; Amatucci, G. G. Fe valence determination and Li elemental distribution in Lithiated FeO0.7F1.3/C nanocomposite battery materials by electron energy loss spectroscopy (EELS) Micron 2012, 43, 22-29
29. Sougrati, M. T.; Jumas, J. C.; Pereira, N.; Amatucci, G. G. unpublished work. 2013.
30. Levi, M. D.; Gamolsy, K.; Aurbach, D.; Heider, U.; Oesten, R. Determination of the Li ion chemical diffusion coefficient for the topotactic solid-state reactions occuring via a two-phase or single-phase solid solution pathway J. Electroanal. Chem. 1999, 477, 32-40
31. Levi, M. D.; Markevich, E.; Aurbach, D. Comparison between Cottrell diffusion and moving boundary models for determination of the chemical diffusion coefficients in ion-insertion electrodes Electrochim. Acta 2005, 51, 98-110
32. 5 Films resulting from Electrochemical Intercalation Reactions J. Braz. Chem. Soc. 2008, 19, 667-671
33. DellEra, A.; Pasquali, M. Comparison between different ways to determine diffusion coefficient and by solving Ficks equation for spherical coordinates J. Solid State Electrochem. 2009, 13, 849-859
34. 2 (x = 1/3, 1/4, and 1/5) J. Electrochem. Soc. 2010, 157, A1201-A1211
35. 2: Simultaneous Application of Electroanalytical Techniques SSCV, PITT, and EIS J. Electrochem. Soc. 1999, 146, 1279-1289
36. 2 Thin Film Prepared by the Poly(vinylpyrrolidone) Sol-Gel Method J. Electrochem. Soc. 2004, 151, A1406-A1411
37. 4F J. Electrochem. Soc. 2011, 158, A741-A749
38. Li, J.; Xiao, X.; Yang, F.; Verbrugge, M. W.; Cheng, Y. Potentiostatic Intermittent Titration Technique for Electrodes Governed by Diffusion and Interfacial Reaction J. Phys. Chem. C 2012, 116, 1472-1478
39. Huggins, R. A. Principles determining the potentials and capacities of electrochemical cells NATO Sci. Ser., III 2001, 85, 21-46
40. Huggins, R. A. Reference electrodes and the Gibbs phase rule Solid State Ionics 2000, 136-137, 1321-1328
41. Huggins, R. A. The relation between the Gibbs phase rule and reference electrodes Ionics 1998, 4, 129-140
42. 3:C J. Electrochem. Soc. 2003, 150, A1209-A1218
43. 6 Disordered Trirutile-Type Phases J. Electrochem. Soc. 2010, 157, A355-A361