Understanding the electrochemical mechanism of the new iron-based mixed-phosphate Na4Fe3(PO4)2(P 2O7) in a Na rechargeable battery

Chemistry of Materials

Volumn 25, Issue 18, 2013, Pages 3614-3622

  Kim, Hyungsub ^a   Park, Inchul ^a   Lee, Seongsu ^b   Kim, Hyunchul ^c   Park, Kyu Young ^a   Park, Young Uk ^a   Kim, Haegyeom ^a   Kim, Jongsoon ^a   Lim, Hee Dae ^a   Yoon, Won Sub ^c   Kang, Kisuk ^a  

^a Seoul National University   (South Korea)

^b Korea Atomic Energy Research Institute   (South Korea)

^c Sungkyunkwan University   (South Korea)

Author keywords

electrochemical mechanism; mixed polyanion cathode; Na rechargeable batteries; one phase reaction; structural evolution

Indexed keywords

CONVENTIONAL SYSTEMS; ELECTROCHEMICAL MECHANISMS; ELECTROCHEMICAL REACTIONS; FIRST-PRINCIPLES CALCULATION; ONE-PHASE REACTION; SITU X-RAY DIFFRACTION; STRUCTURAL EVOLUTION; STRUCTURAL ROBUSTNESS;

CATHODES; DIFFERENTIAL SCANNING CALORIMETRY; ELECTROCHEMICAL ELECTRODES; REDOX REACTIONS; SECONDARY BATTERIES; SODIUM COMPOUNDS; X RAY DIFFRACTION;

IRON COMPOUNDS;

EID: 84884899437     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm4013816     Document Type: Article

References (27)

1. Tarascon, J.-M.; Armand, M. Nature 2001, 414, 359-367
2. Armand, M.; Tarascon, J.-M. Nature 2008, 451, 652-657
3. Kang, K.; Meng, Y. S.; Breger, J.; Grey, C. P.; Ceder, G. Science 2006, 311, 977-980
4. Moreau, P.; Guyomard, D.; Gaubicher, J.; Boucher, F. Chem. Mater. 2010, 22, 4126-4128
5. Lee, K. T; Ramesh, T. N.; Nan, F.; Botton, G.; Nazar, L. F. Chem. Mater. 2011, 23, 3593-3600
6. Ellis, B. L.; Makahnouk, W. R. M.; Makimura, Y.; Toghill, K.; Nazar, L. F. Nat. Mater. 2007, 6, 749-753
7. Barpanda, P.; Chotard, J.; Recham, N.; Delacourt, C.; Ati, M.; Dupont, L.; Armand, M.; Tarascon, J.-M. Inorg. Chem. 2010, 49, 7401-7413
8. Barpanda, P.; Ye, T.; Nishimura, S.; Chung, S.-C.; Yamada, Y.; Okubo, M.; Zhou, H.; Yamada, A. Electrochem. Commun. 2012, 24, 116-119
9. Kim, H.; Shakoor, R. A.; Park, C.; Lim, S.-Y.; Kim, J.-S.; Jo, Y.-N.; Cho, W.; Miyasaka, K.; Kahraman, R.; Jung, Y.; Choi, J.-W. Adv. Funct. Mater. 2012, 23, 1147-1155
10. Kim, H.; Park, I.; Seo, D.-H.; Lee, S.; Kim, S.-W.; Kwon, W. J.; Park, Y. -U.; Kim, C. S.; Jeon, S.; Kang, K. J. Am. Chem. Soc. 2012, 134, 10369-10372
11. Wizansky, A. R.; Rauch, P. E.; DiSalvo, F. J. J. Solid State Chem. 1989, 81, 203-207
12. Kresse, G.; Furthmuller, J. Comput. Mater. Sci. 1996, 6, 15
13. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865
14. Anisimov, V. I.; Zaanen, J.; Andersen, O. K. Phys. Rev. B 1991, 44, 943
15. Anisimov, V. I.; Aryasetiawan, F.; Lichtenstein, A. I. J. Phys.: Condens. Matter 1997, 9, 767
16. Hautier, G.; Fischer, C. C.; Jain, A.; Mueller, T.; Ceder, G. Chem. Mater. 2010, 22, 3762-3767
17. Jain, A.; Hautier, G.; Moore, C.; Kang, B.; Lee, J.; Chen, H.; Twu, N.; Ceder, G. J. Electrochem. Soc. 2012, 159, A622-A633
18. Chen, H.; Hautier, G.; Ceder, G. J. Am. Chem. Soc. 2012, 134, 19619-19627
19. Hautier, G.; Jain, A.; Mueller, T.; Moore, C.; Ong, S. P.; Ceder, G. Chem. Mater. 2013, 25, 2064-2074
20. Ewald, P. P. Ann. Phys. 1921, 369, 253-287
21. Van der Ven, A.; Aydinol, M. K.; Ceder, G. Phy. Rev. B 1998, 58, 2975-2987
22. Malik, R.; Zhou, F.; Ceder, G. Nat. Mater. 2011, 10, 587-590
23. Meethong, N.; Huang, H.-Y.; Speakman, S. A.; Carter, W. C.; Chiang, Y.-M. Adv. Funct. Mater. 2007, 17, 1115-1123
24. Kim, S.-W.; Kim, J.; Gwon, H.; Kang, K. J. Electrochem. Soc. 2009, 156, A635-A638
25. Barpanda, P.; Chotard, J.-M.; Recham, N.; Delacourt, C.; Ati, M.; Dupont, L.; Armand, M.; Tarascon, J.-M. Inorg. Chem. 2010, 49, 7401-7413
26. Ong, S. P.; Jain, A.; Hautier, G.; Kang, B.; Ceder, G. Electrochem. Commun. 2010, 12, 427-430
27. Ponrouch, A.; Marchante, E.; Courty, M.; Tarascon, J.-M.; Palacin, M. R. Energy Enviorn. Sci. 2012, 5, 8572-8583