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

doi:10.1039/d1cp03070a

IMR OpenIR

	Understanding charge storage in Nb2CTx MXene as an anode material for lithium ion batteries
	Cheng, Renfei 1,2; Hu, Tao 3; Wang, Zuohua 4; Yang, Jinxing 1,2; Dai, Ruqiao 1,2; Wang, Weizhen 1; Cui, Cong 1,2; Liang, Yan 1; Zhang, Chao 1; Li, Cuiyu 5; Wang, Hailong 6; Lu, Hongxia 6; Yang, Zhiqing 1; Zhang, Hongwang 4; Wang, Xiaohui 1
通讯作者	Wang, Xiaohui(wang@imr.ac.cn)
	2021-09-16
发表期刊	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN	1463-9076
页码	11
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.
资助者	National Natural Science Foundation of China ; Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences
DOI	10.1039/d1cp03070a
收录类别	SCI
语种	英语
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
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000704423900001
出版者	ROYAL SOC CHEMISTRY
引用统计	被引频次：17[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/166679
专题	中国科学院金属研究所
通讯作者	Wang, Xiaohui
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 3.Suzhou Univ Sci & Technol, Inst Mat Sci & Devices, Suzhou 215009, Peoples R China 4.Yanshan Univ, Coll Mech Engn, Natl Engn Res Ctr Equipment & Technol Cold Strip, Qinhuangdao 066004, Hebei, Peoples R China 5.Suma Technol Co Ltd, Adv Comp East China Subctr, Kunshan 215300, 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.