The combined first principles and experimental study of O-doped KMnF3 as a cathode for potassium-ion batteries

doi:10.1016/j.apsusc.2020.145954

	The combined first principles and experimental study of O-doped KMnF3 as a cathode for potassium-ion batteries
	Wang, Shuya; Chen, Yaxin; Cui, Bin; Li, Bo; Wang, Shuxuan; Cui, Yanhua; Ju, Zhicheng; Zhuang, Quanchao
第一作者	Wang, Shuya
	2020-06-01
发表期刊	APPLIED SURFACE SCIENCE
ISSN	0169-4332
卷号	514
摘要	Computer simulation accelerates the selection and application of new electrode materials. The First-principles calculations based on density functional theory (DFT) are performed to evaluate the performance as cathode for Potassium ion batteries (PIBs) on the structure, electronic conductivity and ionic diffusion of O-doped KMnF3. After taking comprehensive consideration of the calculation results, the nanostructured O-doped KMnF3 was synthesized and the structure and electrochemical properties were further improved by carbon coating. Here, we report a new etch pathway to create a new class of carbon-coated perovskite fluoride to improve the performance of PIB in terms of rate capability and cycle stability. These new material design concepts will help discover and synthesize new materials for PIBs.
DOI	10.1016/j.apsusc.2020.145954
引用统计
文献类型	期刊论文
条目标识符	http://ir.isl.ac.cn/handle/363002/33960
专题	盐湖资源综合利用工程技术中心中国科学院青海盐湖研究所
推荐引用方式 GB/T 7714	Wang, Shuya,Chen, Yaxin,Cui, Bin,et al. The combined first principles and experimental study of O-doped KMnF3 as a cathode for potassium-ion batteries[J]. APPLIED SURFACE SCIENCE,2020,514.
APA	Wang, Shuya.,Chen, Yaxin.,Cui, Bin.,Li, Bo.,Wang, Shuxuan.,...&Zhuang, Quanchao.(2020).The combined first principles and experimental study of O-doped KMnF3 as a cathode for potassium-ion batteries.APPLIED SURFACE SCIENCE,514.
MLA	Wang, Shuya,et al."The combined first principles and experimental study of O-doped KMnF3 as a cathode for potassium-ion batteries".APPLIED SURFACE SCIENCE 514(2020).

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