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

CORC > 青海盐湖研究所 > 中国科学院青海盐湖研究所 > 盐湖资源综合利用工程技术中心

	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
刊名	APPLIED SURFACE SCIENCE
	2020-06-01
卷号	514
ISSN号	0169-4332
DOI	10.1016/j.apsusc.2020.145954
英文摘要	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.
内容类型	期刊论文
源URL	[http://ir.isl.ac.cn/handle/363002/33960]
专题	青海盐湖研究所_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).