Cluster-Inspired Design of High-Capacity Anode for Li-Ion Batteries

doi:10.1021/acsenergylett.6b00120

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	Cluster-Inspired Design of High-Capacity Anode for Li-Ion Batteries
	Zhao, Tianshan ; Wang, Qian ; Jena, Puru
刊名	ACS ENERGY LETTERS
	2016
关键词	PLANAR TETRACOORDINATE CARBON METALLO-CARBOHEDRENES LITHIUM BATTERIES TIO2-B NANOWIRES GROWTH PATHWAYS AB-INITIO NANOTUBES STORAGE NANOCRYSTALS TRANSITION
DOI	10.1021/acsenergylett.6b00120
英文摘要	One of the greatest challenges in next-generation Li-ion batteries (LIB) is to develop high charge capacity anodes with long cycle life. Inspired by the experimental observation of a magic Ti13C22 cluster and its layer-by-layer growth, we have constructed one-dimensional nanowires using Ti9C13 clusters as well as those based on planar-tetracoordinate carbon containing (ptC) Ti8C12 metcar and TiC clusters with bulk cubic crystal structure. Using density functional theory and molecular dynamics we studied their energetic and thermal stability as well as their potential for LIB anode. The Ti9C13 nanowire is found to be stable up to 2500 K and has a charge capacity five times larger than that of the graphite anode being used today. Furthermore, unlike silicon nanotube anode materials, the Ti9C13 nanowire does not suffer from volume expansion/contraction during lithiation/delithiation processes.; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-FG02-96ER45579]; National Natural Science Foundation of China [NSFC-51471004]; National Grand Fundamental Research 973 Program of China [2012CB921404]; China Scholarship Council (CSC); Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; SCI(E); ARTICLE; qwang2@pku.edu.cn; pjena@vcu.edu; 1; 202-208; 1
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/458978]
专题	工学院
推荐引用方式 GB/T 7714	Zhao, Tianshan,Wang, Qian,Jena, Puru. Cluster-Inspired Design of High-Capacity Anode for Li-Ion Batteries[J]. ACS ENERGY LETTERS,2016.
APA	Zhao, Tianshan,Wang, Qian,&Jena, Puru.(2016).Cluster-Inspired Design of High-Capacity Anode for Li-Ion Batteries.ACS ENERGY LETTERS.
MLA	Zhao, Tianshan,et al."Cluster-Inspired Design of High-Capacity Anode for Li-Ion Batteries".ACS ENERGY LETTERS (2016).