Understanding charge storage in Nb2CTx MXene as an anode material for lithium ion batteries

doi:10.1039/d1cp03070a

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	Understanding charge storage in Nb2CTx MXene as an anode material for lithium ion batteries
	Cheng, Renfei 1,2; Hu, Tao 5; Wang, Zuohua 3; Yang, Jinxing 1,2; Dai, Ruqiao 1,2; Wang, Weizhen 2; Cui, Cong 1,2; Liang, Yan 2; Zhang, Chao 2; Li, Cuiyu 4
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2021-09-16
页码	11
ISSN号	1463-9076
DOI	10.1039/d1cp03070a
通讯作者	Wang, Xiaohui(wang@imr.ac.cn)
英文摘要	MXenes represent an emerging family of two-dimensional materials of transition metal carbides/carbonitrides terminated with functional groups like -O, -OH, and -F on the chemically active surface of MX slabs. As a member of the family, Nb2CTx exhibits superior lithium storage capacity over most of the other MXenes as anode materials in lithium-ion batteries (LIBs). However, an in-depth understanding of the charge storage mechanism is still lacking so far. Here, through combining complementary experiments and density functional theory calculations, we provide insights into the (de)lithiation process. Specifically, Nb2CTx with dominant -O functional groups stores charge as a result of changes in the oxidation states of both transition metals Nb and O, which is supported by Bader charge analysis showing a significant change in the oxidation states of Nb and O upon lithiation. As monitored by ex situ X-ray diffraction, the interlayer spacing of Nb2CTx changes slightly upon lithium ion (de)intercalation, corresponding to a volume change of only 2.3% with a near zero-strain feature. By coupling with a LiFePO4/C cathode, the full cell presents superior rate capability and cycling stability as well. The insights into the charge storage mechanism of Nb2CTx in this work provide useful guidance for the rational design of MXene-based anode materials for high-performance LIBs.
资助项目	National Natural Science Foundation of China[51972310] ; Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000704423900001
资助机构	National Natural Science Foundation of China ; Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/166678]
专题	金属研究所_中国科学院金属研究所
通讯作者	Wang, Xiaohui
作者单位	1.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 3.Yanshan Univ, Coll Mech Engn, Natl Engn Res Ctr Equipment & Technol Cold Strip, Qinhuangdao 066004, Hebei, Peoples R China 4.Suma Technol Co Ltd, Adv Comp East China Subctr, Kunshan 215300, Peoples R China 5.Suzhou Univ Sci & Technol, Inst Mat Sci & Devices, Suzhou 215009, Peoples R China 6.Zhengzhou Univ, Sch Mat Sci & Engn, Zhengzhou 450001, Peoples R China
推荐引用方式 GB/T 7714	Cheng, Renfei,Hu, Tao,Wang, Zuohua,et al. Understanding charge storage in Nb2CTx MXene as an anode material for lithium ion batteries[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2021:11.
APA	Cheng, Renfei.,Hu, Tao.,Wang, Zuohua.,Yang, Jinxing.,Dai, Ruqiao.,...&Wang, Xiaohui.(2021).Understanding charge storage in Nb2CTx MXene as an anode material for lithium ion batteries.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,11.
MLA	Cheng, Renfei,et al."Understanding charge storage in Nb2CTx MXene as an anode material for lithium ion batteries".PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021):11.