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Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism

文献类型：期刊论文

作者Lu, Ning5,6; Wang, Kai5,6; Jiang, Jiaxin5,6; Guo, Hongyan5,6; Zuo, Gui Zhong2; Zhuo, Zhiwen5,6; Wu, Xiaojun1; Zeng, Xiao Cheng3,4
刊名ACS APPLIED MATERIALS & INTERFACES
出版日期2022-08-10
卷号14
ISSN号1944-8244
关键词two-dimensional functional material lithium storage anode material lithium batteries first-principles computation
DOI10.1021/acsami.2c07980
通讯作者Lu, Ning(luning@ahnu.edu.cn) ; Zhuo, Zhiwen(zhuozw@ustc.edu.cn) ; Zeng, Xiao Cheng(xzeng1@unl.edu)
英文摘要Designing anode materials with high lithium specific capacity is crucial to the development of high energy density lithium (ion) batteries. Herein, a distinctive lithium growth mechanism, namely, the restricted multilayered growth for lithium, and a strategy for lithium storage are proposed to achieve a balance between ultrahigh specific capacity and the need to avert uncontrolled dendritic growth of lithium. In particular, based on first-principles computation, we show that the Al2C monolayer with a planar tetracoordinate carbon structure can be an ideal platform for realizing the restricted multilayered growth mechanism as a two-dimensional (2D) anode material. Furthermore, the Al2C monolayer exhibits the ultrahigh specific capacity of lithium of 4059 mAh/g, yet with a low diffusion barrier of 0.039-0.17 eV and low open circuit voltage in the range of 0.002-0.34 V. These novel properties render the Al2C monolayer a promising anode material for future lithium (ion) batteries. Our study also offers a design of promising 2D anode materials with a high specific capacity, fast lithium-ion diffusion, and safe lithium storage.
WOS关键词GENERALIZED GRADIENT APPROXIMATION ; PROMISING ANODE MATERIAL ; LI ION BATTERIES ; BUFFER LAYER ; DIFFUSION ; GRAPHENE ; SILICON ; ENERGY ; PERFORMANCE ; CAPABILITY
资助项目Anhui Provincial Natural Science Foundation[2008085QA33] ; National Natural Science Foundation of China[11775261]
WOS研究方向Science & Technology - Other Topics ; Materials Science
语种英语
出版者AMER CHEMICAL SOC
WOS记录号WOS:000841197700001
资助机构Anhui Provincial Natural Science Foundation ; National Natural Science Foundation of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/132077]  
专题中国科学院合肥物质科学研究院
通讯作者Lu, Ning; Zhuo, Zhiwen; Zeng, Xiao Cheng
作者单位1.Univ Sci & Technol China, Sch Chem & Mat Sci, Hefei 230026, Anhui, Peoples R China
2.Chinese Acad Sci, Inst Plasma Phys, HIPS, Hefei 230031, Peoples R China
3.City Univ Hong Kong, Dept Mat Sci & Engn, Hong Kong, Peoples R China
4.Univ Nebraska Lincoln, Dept Chem, Lincoln, NE 68588 USA
5.Anhui Normal Univ, Dept Phys, Wuhu 241000, Anhui, Peoples R China
6.Anhui Normal Univ, Anhui Prov Key Lab Optoelect Mat Sci & Technol, Key Lab Funct Mol Solids, Anhui Lab Mol Based Mat,Minist Educ, Wuhu 241000, Anhui, Peoples R China
推荐引用方式
GB/T 7714		 Lu, Ning,Wang, Kai,Jiang, Jiaxin,et al. Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism[J]. ACS APPLIED MATERIALS & INTERFACES,2022,14.
APA Lu, Ning.,Wang, Kai.,Jiang, Jiaxin.,Guo, Hongyan.,Zuo, Gui Zhong.,...&Zeng, Xiao Cheng.(2022).Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism.ACS APPLIED MATERIALS & INTERFACES,14.
MLA Lu, Ning,et al."Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism".ACS APPLIED MATERIALS & INTERFACES 14(2022).

入库方式： OAI收割

来源：合肥物质科学研究院

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