Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives

doi:10.1002/aenm.202200662

IMR OpenIR

	Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives
	Olsson, Emilia 1,2,3; Yu, Jiale 1,4; Zhang, Haiyan 4; Cheng, Hui-Ming 5,6,7; Cai, Qiong 1
通讯作者	Olsson, Emilia(e.olsson@arcnl.nl)
	2022-05-17
发表期刊	ADVANCED ENERGY MATERIALS
ISSN	1614-6832
页码	29
摘要	The development and optimization of high-performance anode materials for alkali metal ion batteries is crucial for the green energy evolution. Atomic scale computational modeling such as density functional theory and molecular dynamics allows for efficient and adventurous materials design from the nanoscale, and have emerged as invaluable tools. Computational modeling cannot only provide fundamental insight, but also present input for multiscale models and experimental synthesis, often where quantities cannot readily be obtained by other means. In this review, an overview of three main anode classes; alloying, conversion, and intercalation-type anodes, is provided and how atomic scale modeling is used to understand and optimize these materials for applications in lithium-, sodium-, and potassium-ion batteries. In the last part of this review, a novel type of anode materials that are largely predicted from density functional theory simulations is presented. These 2D materials are currently in their early stages of development and are only expected to gain in importance in the years to come, both within the battery field and beyond, highlighting the ability of atomic scale materials design.
关键词	anodes density functional theory lithium-ion batteries materials design molecular dynamics potassium-ion batteries sodium-ion batteries
资助者	Engineering and Physical Sciences Research Council ; UK Faraday Institution LiSTAR programme
DOI	10.1002/aenm.202200662
收录类别	SCI
语种	英语
资助项目	Engineering and Physical Sciences Research Council[EP/R021554/2] ; UK Faraday Institution LiSTAR programme[EP/S003053/1] ; UK Faraday Institution LiSTAR programme[FIRG014]
WOS研究方向	Chemistry ; Energy & Fuels ; Materials Science ; Physics
WOS类目	Chemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS记录号	WOS:000796764000001
出版者	WILEY-V C H VERLAG GMBH
引用统计	被引频次：93[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/321006/174078
专题	中国科学院金属研究所
通讯作者	Olsson, Emilia
作者单位	1.Univ Surrey, Fac Engn & Phys Sci, Dept Chem & Proc Engn, Guildford GU2 7XH, Surrey, England 2.Adv Res Ctr Nanolithog, Sci Pk 106, NL-1098 XG Amsterdam, Netherlands 3.Univ Amsterdam, Inst Phys, Inst Theoret Phys, Sci Pk 904, NL-1098 XG Amsterdam, Netherlands 4.Guangdong Univ Technol, Sch Mat & Energy, Guangzhou 510006, Peoples R China 5.Chinese Acad Sci, Shenzhen Inst Adv Technol, Inst Technol Carbon Neutral, Fac Mat Sci & Engn, Shenzhen 518055, Peoples R China 6.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenzhen 110016, Peoples R China 7.Univ Surrey, Adv Technol Inst ATI, Guildford GU2 7XH, Surrey, England
推荐引用方式 GB/T 7714	Olsson, Emilia,Yu, Jiale,Zhang, Haiyan,et al. Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives[J]. ADVANCED ENERGY MATERIALS,2022:29.
APA	Olsson, Emilia,Yu, Jiale,Zhang, Haiyan,Cheng, Hui-Ming,&Cai, Qiong.(2022).Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives.ADVANCED ENERGY MATERIALS,29.
MLA	Olsson, Emilia,et al."Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives".ADVANCED ENERGY MATERIALS (2022):29.