Trace doping of multiple elements enables stable battery cycling of LiCoO 2 at 4.6 V

作者: Jie-Nan Zhang , Qinghao Li , Chuying Ouyang , Xiqian Yu , Mingyuan Ge

DOI: 10.1038/S41560-019-0409-Z

关键词: Phase transitionOptoelectronicsVoltageMaterials scienceGrain boundaryElectronicsDopingInstabilityDopantMicrostructure

摘要: LiCoO 2 is a dominant cathode material for lithium-ion (Li-ion) batteries due to its high volumetric energy density, which could potentially be further improved by charging to high voltages…

参考文章(43)
Yang Shao-Horn, Stéphane Levasseur, François Weill, Claude Delmas, None, Probing Lithium and Vacancy Ordering in O3 Layered LixCoO2 ( x ≈ 0.5 ) : An Electron Diffraction Study Journal of The Electrochemical Society. ,vol. 150, ,(2003) , 10.1149/1.1553787
Vladimir I. Anisimov, Jan Zaanen, Ole K. Andersen, Band theory and Mott insulators: Hubbard U instead of Stoner I. Physical Review B. ,vol. 44, pp. 943- 954 ,(1991) , 10.1103/PHYSREVB.44.943
Wanli Yang, Xiaosong Liu, Ruimin Qiao, Paul Olalde-Velasco, Jonathan D. Spear, Louis Roseguo, John X. Pepper, Yi-de Chuang, Jonathan D. Denlinger, Zahid Hussain, Key electronic states in lithium battery materials probed by soft X-ray spectroscopy Journal of Electron Spectroscopy and Related Phenomena. ,vol. 190, pp. 64- 74 ,(2013) , 10.1016/J.ELSPEC.2013.03.008
Vladimir I Anisimov, F Aryasetiawan, A I Lichtenstein, First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+ U method Journal of Physics: Condensed Matter. ,vol. 9, pp. 767- 808 ,(1997) , 10.1088/0953-8984/9/4/002
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Shingo Tanaka, Mitsunori Kitta, Tomoyuki Tamura, Yasushi Maeda, Tomoki Akita, Masanori Kohyama, Atomic and electronic structures of Li4Ti5O12/Li7Ti5O12 (001) interfaces by first-principles calculations Journal of Materials Science. ,vol. 49, pp. 4032- 4037 ,(2014) , 10.1007/S10853-014-8102-X
Jan N. Reimers, J. R. Dahn, Electrochemical and In Situ X‐Ray Diffraction Studies of Lithium Intercalation in Li x CoO2 Journal of The Electrochemical Society. ,vol. 139, pp. 2091- 2097 ,(1992) , 10.1149/1.2221184
Feng Lin, Isaac M. Markus, Dennis Nordlund, Tsu-Chien Weng, Mark D. Asta, Huolin L. Xin, Marca M. Doeff, Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries Nature Communications. ,vol. 5, pp. 3529- 3529 ,(2014) , 10.1038/NCOMMS4529
A. Van der Ven, M. K. Aydinol, G. Ceder, G. Kresse, J. Hafner, First-principles investigation of phase stability inLixCoO2 Physical Review B. ,vol. 58, pp. 2975- 2987 ,(1998) , 10.1103/PHYSREVB.58.2975