SIC OpenIR
Quantitative description on structure–property relationships of Li-ion battery materials for high-throughput computations
Wang, Youwei1; Zhang, Wenqing1,3; Chen, Lidong1; Shi, Siqi2,3; Liu, Jianjun1
2017
Source PublicationScience and Technology of Advanced Materials
ISSN14686996
Volume18Issue:1Pages:134-146
AbstractLi-ion batteries are a key technology for addressing the global challenge of clean renewable energy and environment pollution. Their contemporary applications, for portable electronic devices, electric vehicles, and large-scale power grids, stimulate the development of high-performance battery materials with high energy density, high power, good safety, and long lifetime. High-throughput calculations provide a practical strategy to discover new battery materials and optimize currently known material performances. Most cathode materials screened by the previous high-throughput calculations cannot meet the requirement of practical applications because only capacity, voltage and volume change of bulk were considered. It is important to include more structure–property relationships, such as point defects, surface and interface, doping and metal-mixture and nanosize effects, in high-throughput calculations. In this review, we established quantitative description of structure–property relationships in Li-ion battery materials by the intrinsic bulk parameters, which can be applied in future high-throughput calculations to screen Li-ion battery materials. Based on these parameterized structure–property relationships, a possible high-throughput computational screening flow path is proposed to obtain high-performance battery materials. © 2017 The Author(s). Published by National Institute for Materials Science in partnership with Taylor & Francis.
DOI10.1080/14686996.2016.1277503
EI Accession Number20172003661727
EI KeywordsLithium-ion batteries
EI Classification Number706.1.1 Electric Power Transmission - 933.1.1 Crystal Lattice - 951 Materials Science
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sic.ac.cn/handle/331005/25480
Collection中国科学院上海硅酸盐研究所
Affiliation1.State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, China;
2.School of Materials Science and Engineering, Shanghai University, Shanghai, China;
3.Materials Genome Institute, Shanghai University, Shanghai, China
Recommended Citation
GB/T 7714
Wang, Youwei,Zhang, Wenqing,Chen, Lidong,等. Quantitative description on structure–property relationships of Li-ion battery materials for high-throughput computations[J]. Science and Technology of Advanced Materials,2017,18(1):134-146.
APA Wang, Youwei,Zhang, Wenqing,Chen, Lidong,Shi, Siqi,&Liu, Jianjun.(2017).Quantitative description on structure–property relationships of Li-ion battery materials for high-throughput computations.Science and Technology of Advanced Materials,18(1),134-146.
MLA Wang, Youwei,et al."Quantitative description on structure–property relationships of Li-ion battery materials for high-throughput computations".Science and Technology of Advanced Materials 18.1(2017):134-146.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Wang, Youwei]'s Articles
[Zhang, Wenqing]'s Articles
[Chen, Lidong]'s Articles
Baidu academic
Similar articles in Baidu academic
[Wang, Youwei]'s Articles
[Zhang, Wenqing]'s Articles
[Chen, Lidong]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Wang, Youwei]'s Articles
[Zhang, Wenqing]'s Articles
[Chen, Lidong]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.