Gas-solid interfacial modification of oxygen activity in layered oxide cathodes for lithium-ion batteries

Nature Communications

Volumn 7, Issue , 2016, Pages

  Qiu, Bao ^a   Zhang, Minghao ^b   Wu, Lijun ^c   Wang, Jun ^d   Xia, Yonggao ^a   Qian, Danna ^b   Liu, Haodong ^b   Hy, Sunny ^b   Chen, Yan ^e   An, Ke ^e   Zhu, Yimei ^c   Liu, Zhaoping ^a   Meng, Ying Shirley ^b  

^a NINGBO INSTITUTE OF MATERIALS TECHNOLOGY AND ENGINEERING   (China)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c BROOKHAVEN NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF MÜNSTER   (Germany)

^e OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LITHIUM ION;

DESIGN; DIFFUSION; ELECTROCHEMISTRY; ELECTRON; EQUIPMENT; EXPERIMENTAL STUDY; LITHIUM; OXYGEN; THEORETICAL STUDY;

ARTICLE; CALCULATION; CATHODE MATERIAL; CURRENT DENSITY; DIFFUSION; ELECTRIC BATTERY; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRON TRANSPORT; GENERAL DEVICE; ION TRANSPORT; REACTION ANALYSIS; SURFACE PROPERTY; SYNTHESIS; TRANSMISSION ELECTRON MICROSCOPY; X RAY DIFFRACTION;

EID: 84977073557     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms12108     Document Type: Article

References (55)

1. Adler, S. B. Factors governing oxygen reduction in solid oxide fuel cell cathodes. Chem. Rev. 104, 4791-4843 (2004).
2. Liao, P. & Carter, E. A. New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxide. Chem. Soc. Rev. 42, 2401-2422 (2013).
3. Huang, R. C. et al. Oxygen-vacancy ordering at surfaces of lithium manganese (III, IV) oxide spinel nanoparticles. Angew. Chem. Int. Ed. 50, 3053-3057 (2011).
4. Okamoto, Y. Ambivalent effect of oxygen vacancies on Li2MnO3: a First-Principles study. J. Electrochem. Soc. 159, A152-A156 (2012).
5. Sushko, P. V., Rosso, K. M., Zhang, J.-G., Liu, J. & Sushko, M. L. Oxygen vacancies and ordering of d-levels control voltage suppression in oxide cathodes: the case of spinel LiNi0.5Mn1.5O4-d. Adv. Funct. Mater. 23, 5530-5535 (2013).
6. Kim, J.-H., Myung, S.-T., Yoon, C. S., Kang, S. G. & Sun, Y.-K. Comparative study of LiNi0.5Mn1.5O4-d and LiNi0.5Mn1.5O4 cathodes having two crystallographic structures: Fd-3m and P4332. Chem. Mater. 16, 904-916 (2007).
7. Jung, S.-K. et al. Understanding the degradation mechanisms of LiNi0.5Co0.2Mn0.3O2 cathode material in lithium ion batteries. Adv. Energy Mater. 4, 201300787 (2014).
8. Lin, F. et al. Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries. Nat. Commun. 5, 3529 (2014).
9. Yu, H. et al. Direct atomic-resolution observation of two phases in the Li1.2Mn0.567Ni0.166Co0.067O2 cathode material for lithium-ion batteries. Angew. Chem. Int. Ed. 52, 5969-5973 (2013).
10. Johnson, C. S. et al. The significance of the Li2MnO3 component in 'composite' xLi2MnO3 - (1-x)LiMn0.5Ni0.5O2 electrodes. Electrochem. Commun. 6, 1085-1091 (2004).
11. Thackeray, M. M. et al. Li2MnO3-stabilized LiMO2 (M=Mn, Ni, Co) electrodes for lithium-ion batteries. J. Mater. Chem. 17, 3112-3125 (2007).
12. Rossouw, M. H. & Thackeray, M. M. Lithium manganese oxides from Li2MnO3 for rechargeable lithium battery applications. Mater. Res. Bull. 26, 463-473 (1991).
13. Lu, Z., MacNeil, D. D. & Dahn, J. R. Layered cathode materials Li[NixLi1/3-2x/ 3Mn2/3-x/3]O2 for lithium-ion batteries. Electrochem. Solid-State Lett. 4, A191-A194 (2001).
14. Xia, Q. et al. A Li-rich layered@spinel@carbon heterostructured cathode material for high capacity and high rate lithium-ion batteries fabricated via an in situ synchronous carbonization-reduction method. J. Mater. Chem. A 3, 3995-4003 (2015).
15. Hy, S. et al. Performance and design considerations for lithium excess layered oxide positive electrode materials for lithium ion batteries. Energy Environ. Sci. 9, 1931-1954 (2016).
16. Ohzuku, T., Nagayama, M., Tsuji, K. & Ariyoshi, K. High-capacity lithium insertion materials of lithium nickel manganese oxides for advanced lithiumion batteries: toward rechargeable capacity more than 300mAh g-1. J. Mater. Chem. 21, 10179-10188 (2011).
17. Lu, Z. & Dahn, J. R. Understanding the anomalous capacity of Li/ Li[NixLi1/3-2x/ 3Mn2/3-x/3]O2 cells using in situ X-ray diffraction and electrochemical studies. J. Electrochem. Soc. 149, A815-A822 (2002).
18. Armstrong, A. R. et al. Demonstrating oxygen loss and associated structural reorganization in the lithium battery cathode Li[Ni0.2Li0.2Mn0.6]O2. J. Am. Chem. Soc. 128, 8694-8698 (2006).
19. Koga, H. et al. Reversible oxygen participation to the redox processes revealed for Li1.2Mn0.54Co0.13Ni0.13O2. J. Electrochem. Soc. 160, A786-A792 (2013).
20. Koga, H. et al. Different oxygen redox participation for bulk and surface: a possible global explanation for the cycling mechanism of Li1.20Mn0.54Co0.13Ni0.13O2. J. Power Sources 236, 250-258 (2013).
21. Sathiya, M. et al. High performance Li2Ru1-yMnyO3 (0.2 r y r 0.8) cathode materials for rechargeable lithium-ion batteries: their understanding. Chem. Mater. 25, 1121-1131 (2013).
22. Sathiya, M. et al. Reversible anionic redox chemistry in high-capacity layeredoxide electrodes. Nat. Mater. 12, 827-835 (2013).
23. Oishi, M. et al. Direct observation of reversible charge compensation by oxygen ion in Li-rich manganese layered oxide positive electrode material, Li1.16Ni0.15Co0.19Mn0.50O2. J. Power Sources 276, 89-94 (2015).
24. Xu, B., Fell, C. R., Chi, M. & Meng, Y. S. Identifying surface structural changes in layered Li-excess nickel manganese oxides in high voltage lithium ion batteries: a joint experimental and theoretical study. Energy Environ. Sci. 4, 2223-2233 (2011).
25. Fell, C. R. et al. Correlation between oxygen vacancy, microstrain, and cation distribution in lithium-excess layered oxides during the first electrochemical cycle. Chem. Mater. 25, 1621-1629 (2013).
26. Qian, D., Xu, B., Chi, M. & Meng, Y. S. Uncovering the roles of oxygen vacancies in cation migration in lithium excess layered oxides. Phys. Chem. Chem. Phys. 16, 14665-14668 (2014).
27. Kubota, K. et al. Direct synthesis of oxygen-deficient Li2MnO3-x for high capacity lithium battery electrodes. J. Power Sources 216, 249-255 (2012).
28. Song, B. et al. High rate capability caused by surface cubic spinels in Li-rich layer-structured cathodes for Li-ion batteries. Sci. Rep. 3, 3094-3105 (2013).
29. Kang, S. H., Johnson, C. S., Vaughey, J. T., Amine, K. & Thackeray, M. M. The effects of acid treatment on the electrochemical properties of 0.5Li2MnO3- 0.5LiNi0.44Co0.25Mn0.31O2 electrodes in lithium cells. J. Electrochem. Soc. 153, A1186-A1192 (2006).
30. Zhao, J. et al. An ion-exchange promoted phase transition in a Li-excess layered cathode material for high-performance lithium ion batteries. Adv. Energy Mater 5, 201401937 (2015).
31. Yu, D. Y. W., Yanagida, K. & Nakamura, H. Surface modification of Li-excess Mn-based cathode materials. J. Electrochem. Soc. 157, A1177-A1182 (2010).
32. Sun, Y. K. et al. The role of AlF3 coatings in improving electrochemical cycling of Li-enriched nickel-manganese oxide electrodes for Li-ion batteries. Adv. Mater. 24, 1192-1196 (2012).
33. Villevieille, C., Lanz, P., Bünzli, C. & Novák, P. Bulk and surface analyses of ageing of a 5V-NCM positive electrode material for lithium-ion batteries. J. Mater. Chem. A 2, 6488-6493 (2014).
34. Yabuuchi, N., Yoshii, K., Myung, S. T., Nakai, I. & Komaba, S. Detailed studies of a high-capacity electrode material for rechargeable batteries, Li2MnO3-LiCo1/ 3Ni1/3Mn1/3O2. J. Am. Chem. Soc. 133, 4404-4419 (2011).
35. Qiu, B. et al. Enhanced electrochemical performance with surface coating by reactive magnetron sputtering on lithium-rich layered oxide electrodes. ACS Appl. Mater. Interfaces 6, 9185-9193 (2014).
36. Liu, H., Fell, C. R., An, K., Cai, L. & Meng, Y. S. In situ neutron diffraction study of the xLi2MnO3 - (1-x)LiMO2 (x=0, 0.5; M=Ni, Mn, Co) layered oxide compounds during electrochemical cycling. J. Power Sources 240, 772-778 (2013).
37. Wu, L. J. et al. Structural defects of silver hollandite, AgxMn8Oy, nanorods: dramatic impact on electrochemistry. ACS Nano 9, 8430-8439 (2015).
38. Arunkumar, T. A., Wu, Y. & Manthiram, A. Factors influencing the irreversible oxygen loss and reversible capacity in layered Li[Li1/3Mn2/3]O2-Li[M]O2 (M=Mn0.5-yNi0.5-yCo2y and Ni1-yCoy) solid solutions. Chem. Mater. 19, 3067-3073 (2007).
39. Wu, Y. & Manthiram, A. High capacity, surface-modified layered Li[Li(1-x)/ 3Mn(2-x)/3Nix/3Cox/3]O2 cathodes with low irreversible capacity loss. Electrochem. Solid-State Lett. 9, A221-A224 (2006).
40. Liu, W. et al. Countering voltage decay and capacity fading of lithium-rich cathode material at 60 °C by hybrid surface protection layers. Adv. Energy Mater. 5, 201500274 (2015).
41. Lanz, P., Sommer, H., Schulz-Dobrick, M. & Novák, P. Oxygen release from high-energy xLi2MnO3-(1-x)LiMO2 (M=Mn, Ni, Co): electrochemical, differential electrochemical mass spectrometric, in situ pressure, and in situ temperature characterization. Electrochim. Acta 93, 114-119 (2013).
42. Castel, E., Berg, E. J., El Kazzi, M., Novák, P. & Villevieille, C. Differential electrochemical mass spectrometry study of the interface of xLi2MnO3 - (1-x)LiMO2 (M=Ni, Co, and Mn) material as a positive electrode in Li-ion batteries. Chem. Mater. 26, 5051-5057 (2014).
43. Yu, H. et al. Electrochemical kinetics of the 0.5Li2MnO3- 0.5LiMn0.42Ni0.42Co0.16O2 'composite' layered cathode material for lithium-ion batteries. RSC Adv. 2, 8797-8807 (2012).
44. Kang, K., Meng, Y. S., Breger, J., Grey, C. P. & Ceder, G. Electrodes with high power and high capacity for rechargeable lithium batteries. Science 311, 977-980 (2006).
45. Qiu, B. et al. Electrochemical investigation of Li-excess layered oxide cathode materials/mesocarbon microbead in 18650 batteries. Electrochim. Acta 123, 317-324 (2014).
46. An, K., Wang, X. L. & Stoica, A. D. Vulcan data reduction and interactive visualization software, ORNL Report, 621 (2012).
47. Toby, B. H. EXPGUI, a graphical user interface for GSAS. J. Appl. Crystallogr. 34, 210-213 (2001).
48. Pearson, D. H. et al. White lines and d-electron occupancies for the 3d and 4d transition metals. Phys. Rev. B: Condens. Matter Mater. Phys. 47, 8471-8478 (1993).
49. Kraft, S., Stümpel, J., Becker, P. & Kuetgens, U. High resolution X-ray absorption spectroscopy with absolute energy calibration for the determination of absorption edge energies. Rev. Sci. Instrum. 67, 681-687 (1996).
50. Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758-1775 (1999).
51. 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).
52. Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio totalenergy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169-11186 (1996).
53. Kresse, G. & Hafner, J. Ab initio molecular-dynamics simulation of the liquidmetal- amorphous-semiconductor transition in germanium. Phys. Rev. B 49, 14251-14269 (1994).
54. Perdew, J. P., Burke, K. & Wang, Y. Generalized gradient approximation for the exchange-correlation hole of a many-electron system. Phys. Rev. B 54, 16533-16539 (1996).
55. Hinuma, Y., Meng, Y. S., Kang, K. & Ceder, G. Phase transitions in the LiNi0.5Mn0.5O2 system with temperature. Chem. Mater. 19, 1790-1800 (2007).