气候变化领域集成服务门户(CCPortal): Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes

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DOI	10.1039/c8ee00816g
	Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes
	Kitchaev D.A.; Lun Z.; Richards W.D.; Ji H.; Clément R.J.; Balasubramanian M.; Kwon D.-H.; Dai K.; Papp J.K.; Lei T.; McCloskey B.D.; Yang W.; Lee J.; Ceder G.
发表日期	2018
ISSN	17545692
起始页码	2159
结束页码	2171
卷号	11 期号:8
英文摘要	The discovery of facile Li transport in disordered, Li-excess rocksalt materials has opened a vast new chemical space for the development of high energy density, low cost Li-ion cathodes. We develop a strategy for obtaining optimized compositions within this class of materials, exhibiting high capacity and energy density as well as good reversibility, by using a combination of low-valence transition metal redox and a high-valence redox active charge compensator, as well as fluorine substitution for oxygen. Furthermore, we identify a new constraint on high-performance compositions by demonstrating the necessity of excess Li capacity as a means of counteracting high-voltage tetrahedral Li formation, Li-binding by fluorine and the associated irreversibility. Specifically, we demonstrate that 10-12% of Li capacity is lost due to tetrahedral Li formation, and 0.4-0.8 Li per F dopant is made inaccessible at moderate voltages due to Li-F binding. We demonstrate the success of this strategy by realizing a series of high-performance disordered oxyfluoride cathode materials based on Mn2+/4+ and V4+/5+ redox. © 2018 The Royal Society of Chemistry.
英文关键词	Binding energy; Cathodes; Fluorine; Lithium; Lithium compounds; Redox reactions; Transition metal compounds; Transition metals; Cath-ode materials; Charge compensators; Chemical space; Design Principles; Energy density; Fluorine substitution; High energy densities; Valence transitions; Fluorine compounds; chemical binding; equipment component; fluorine; lithium; optimization; performance assessment; redox conditions; transition element
语种	英语
来源期刊	Energy & Environmental Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/190183
作者单位	Department of Materials Science and Engineering, MIT, Cambridge, MA 02139, United States; Materials Science Division, LBNL, Berkeley, CA 94720, United States; Department of Materials Science and Engineering, UC Berkeley, Berkeley, CA 94720, United States; X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439, United States; Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States; Department of Chemical and Biomolecular Engineering, UC Berkeley, Berkeley, CA 94720, United States; Department of Chemistry, UC Berkeley, Berkeley, CA 94720, United States; Energy Storage and Distributed Resources Division, LBNL, Berkeley, CA 94720, United States
推荐引用方式 GB/T 7714	Kitchaev D.A.,Lun Z.,Richards W.D.,et al. Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes[J],2018,11(8).
APA	Kitchaev D.A..,Lun Z..,Richards W.D..,Ji H..,Clément R.J..,...&Ceder G..(2018).Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes.Energy & Environmental Science,11(8).
MLA	Kitchaev D.A.,et al."Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes".Energy & Environmental Science 11.8(2018).