Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives
Olsson, Emilia1,2,3; Yu, Jiale1,4; Zhang, Haiyan4; Cheng, Hui-Ming5,6,7; Cai, Qiong1
Corresponding AuthorOlsson, Emilia(
AbstractThe 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.
Keywordanodes density functional theory lithium-ion batteries materials design molecular dynamics potassium-ion batteries sodium-ion batteries
Funding OrganizationEngineering and Physical Sciences Research Council ; UK Faraday Institution LiSTAR programme
Indexed BySCI
Funding ProjectEngineering and Physical Sciences Research Council[EP/R021554/2] ; UK Faraday Institution LiSTAR programme[EP/S003053/1] ; UK Faraday Institution LiSTAR programme[FIRG014]
WOS Research AreaChemistry ; Energy & Fuels ; Materials Science ; Physics
WOS SubjectChemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS IDWOS:000796764000001
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Cited Times:37[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Corresponding AuthorOlsson, Emilia
Affiliation1.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
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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.
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