Ternary metal fluorides as high-energy cathodes with low cycling hysteresis

Nature Communications

Volumn 6, Issue , 2015, Pages

  Wang, Feng ^a   Kim, Sung Wook ^a,d   Seo, Dong Hwa ^b,e   Kang, Kisuk ^b   Wang, Liping ^a   Su, Dong ^a   Vajo, John J ^c   Wang, John ^c   Graetz, Jason ^a,c  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

^b Seoul National University   (South Korea)

^c Hughes Aircraft Co   (United States)

^d Korea Atomic Energy Research Institute   (South Korea)

^e Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATION; CUPRIC ION; FLUORIDE; IRON; LITHIUM;

DISSOLUTION; ELECTROCHEMISTRY; ELECTRODE; ELECTROKINESIS; FLUORIDE; HYSTERESIS; LITHIUM; REACTION KINETICS; REDOX CONDITIONS; TRANSITION ELEMENT;

ARTICLE; CATHODE; DENSITY FUNCTIONAL THEORY; DISSOLUTION; ELECTRIC BATTERY; ELECTRODE; ELECTRON ENERGY LOSS SPECTROSCOPY; ENERGY; HYSTERESIS; OXIDATION REDUCTION REACTION; SCANNING TRANSMISSION ELECTRON MICROSCOPY; SYNTHESIS; X RAY ABSORPTION SPECTROSCOPY; X RAY DIFFRACTION;

EID: 84925700763     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms7668     Document Type: Article

References (42)

1. Tarascon, J.-M. & Armand, M. Issues and challenges facing rechargeable lithium batteries. Nature 414, 359-367 (2001).
2. Aricò, A. S., Bruce, P., Scrosati, B., Tarascon, J.-M. & Van Schalkwijk, W. Nanostructured materials for advanced energy conversion and storage devices. Nat. Mat. 4, 366-377 (2005).
3. Dunn, B., Kamath, H. & Tarascon, J.-M. Electrical energy storage for the grid: a battery of choice. Science 334, 928-935 (2011).
4. Poizot, P., Laruelle, S., Grugeon, S., Dupont, L. & Tarascon, J.-M. Nano-sized transition metal oxide as negative-electrode materials for lithium-ion batteries. Nature 407, 496-499 (2000).
5. Malini, P., Uma, U., Sheela, T., Ganesan, M. & Renganathan, N. G. Conversion reaction: a new pathway to realise energy in lithium-ion battery-review. Ionics 15, 301-307 (2009).
6. Cabana, J., Monconduit, L., Larcher, D. & Palacín, M. R. Beyond intercalationbased Li-ion batteries: the state of art and challenges of electrode materials reaction through conversion reactions. Adv. Mater. 22, E170-E192 (2010).
7. Yersak, T. A. et al. Solid state enabled reversible four electron storage. Adv. Energy Mater. 3, 120-127 (2013).
8. Amatucci, G. G. & Pereira, N. Fluoride based electrode materials for advanced energy storage devices. J. Fluorine Chem. 128, 243-262 (2007).
9. Li, H., Balaya, P. & Maier, J. Li-storage via heterogeneous reaction in selected binary metal fluorides and oxides. J. Electrochem. Soc. 151, A1878-A1885 (2004).
10. Badway, F., Cosandey, F., Pereira, N. & Amatucci, G. G. Carbon metal fluoride nanocomposites: structure and electrochemistry of FeF3:C. J. Electrochem. Soc. 150, A1209-A1218 (2003).
11. Li, H., Richter, G. & Maier, J. Reversible formation and decomposition of LiF clusters using transition metal fluorides as precursors and their applications in rechargeable Li batteries. Adv. Mater. 15, 736-739 (2003).
12. Kim, S.-W., Seo, D.-H., Gwon, H., Kim, J. & Kang, K. Fabrication of FeF3 nanoflowers on CNT branches and their application to high power lithium rechargeable batteries. Adv. Mater. 22, 5260-5264 (2010).
13. Badway, F. et al. Structure and electrochemistry of copper fluoride nanocomposites utilizing mixed conducting matrices. Chem. Mater. 19, 4129-4141 (2007).
14. 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 116, 6467-6473 (2012).
15. Wang, F. et al. Conversion reaction mechanism in lithium ion batteries: study of the binary metal fluoride electrodes. J. Am. Chem. Soc. 133, 18828-18836 (2011).
16. Wang, F. et al. Tracking lithium transport and electrochemical reactions in nanoparticles. Nat. Commun. 3, 1201 (2012).
17. Yamakawa, N., Jiang, M. & Grey, C. P. Investigation of the cconversion reaction mechanisms for binary copper(II) compounds by solid-state NMR spectroscopy and X-ray diffraction. Chem. Mater. 21, 3162-3176 (2009).
18. Li, L., Meng, F. & Jin, S. High-capacity lithium-ion battery conversion cathodes based on iron fluoride nanowires and insights into the conversion mechanism. Nano Lett. 12, 6030-6037 (2012).
19. Parkinson., M. F., Ko, J. K., Halajko, A., Sanghvi, S. & Amatucci, G. G. Effect of vertically structured porosity on electrochemical performance of FeF2 films for lithium batteries. Electrochim. Acta 125, 71-82 (2014).
20. Jonathan, K. K. et al. Transport, phase reactions, and hysteresis of iron fluoride and oxyfluoride conversion electrode materials for lithium batteries. ACS Appl. Mater. Interf. 6, 10858-10869 (2014).
21. Yu, H.-C. et al. Designing the next generation high capacity battery electrodes. Energy Environ Sci. 7, 1760-1768 (2014).
22. Ma, Y. & Garofalini, S. H. Atomistic insights into the conversion reaction in iron fluoride: a dynamically adaptive force field approach. J. Am. Chem. Soc. 134, 8205 (2012).
23. Hua, X. et al. Comprehensive Study of the CuF2 Conversion reaction mechanism in a lithium-ion battery. J. Phys. Chem. C 118, 15169 (2014).
24. Kang, K., Meng, Y. S., Bréger, J., Grey, C. P. & Ceder, G. Electrode with high power and high capacity for rechargeable lithium batteries. Science 311, 977-980 (2006).
25. Reed., J. & Charge, Ceder. G. potential, and phase stability of layered Li(Ni0.5Mn0.5)O2. Electrochem. Solid-State Lett. 5, A145-A148 (2002).
26. Oh, M. H. et al. Galvanic replacement reaction in metal oxide nanocrystals. Science 340, 964-968 (2013).
27. Chatterji, T. & Hansen, T. C. Magnetoelastic effects in Jahn-Teller distorted CrF2 and CuF2 studied by neutron power diffraction. J. Phys: Condens. Matter. 23, 276007 (2011).
28. Kim, H. et al. Multicomponent effects on the crystal structures and electrochemical properties of spinel-structured M3O4 (M=Fe, Mn, Co) anodes in lithium rechargeable batteries. Chem. Mater. 24, 720-725 (2012).
29. Kim, S.-W. et al. Energy storage in composite of a redox couple host and a lithium ion host. Nano Today 7, 168-173 (2012).
30. Jang, D. H., Shin, Y. J. & Oh, S. M. Dissolution of spinel oxide and capacity losses in 4V Li/LixMn2O4 cells. J. Electrochem. Soc. 143, 2204-2211 (1996).
31. Poizot, P. et al. Evidence of an electrochemically assisted ion exchange reaction in Cu2.33V4O11 electrode material vs. Li. Electrochem. Solid-State Lett. 8, A184-A187 (2005).
32. Pereira, N., Badway, F., Wartelsky, M., Gunn, S. & Amatucci, G. G. Iron oxyfluorides as high capacity cathode materials for lithium batteries. J. Electrochem. Soc. 156, A407-A416 (2009).
33. Zhou, H. et al. Formation of iron oxyfluoride phase on the surface of nano-Fe3O4 conversion compound for electrochemical energy storage. J. Phys. Chem. Lett. 4, 3798-3805 (2013).
34. Delmer, O., Balaya, P., Kienle, L. & Maier, J. Enhanced potential of amorphous electrode materials: case study of RuO2. Adv. Mater. 20, 501-505 (2008).
35. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996).
36. Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comp. Mater. Sci. 6, 15-50 (1996).
37. Dudarev, S. L., Botton, G. A., Savrasov, S. V., Hymphreys, C. J. & Sutton, A. P. Electron-energy-loss spectra and the structural stability of nickel oxide: an LDSA+U study. Phys. Rev. B 57, 1505-1509.
38. Ong, S. P. et al. Python materials genomics (pymatgen): a robust, open-source python library for materials analysis. Comp. Mater. Sci 68, 314-319 (2013).
39. Jain, A. et al. Formation enthalpies by mixing GGA and GGA+U calculations. Phys. Rev. B 84, 045115 (2011).
40. Van der Ven, A., Thomas, J. C., Xu, Q. & Bhattacharya, J. Linking the electronic structure of solids to their thermodynamic and kinetic properties. Math. Comput. Simulat. 80, 1393-1410 (2010).
41. Rodriguez-Carvajal, J. Recent advances in magnetic structure determination by neutron powder diffraction. Physica B 192, 55-69 (1993).
42. Ravel, B. & Newville, M. ATHENA, ARTEMIS, HEPHASTUS: Data analysis for X-ray absorption spectroscopy using IFEFFIT. J. Synchrotron. Rad. 12, 537-541 (2005).