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DOI	10.1039/c8ee01448e
	Self-diffusion barriers: Possible descriptors for dendrite growth in batteries?
	Jäckle M.; Helmbrecht K.; Smits M.; Stottmeister D.; Groß A.
发表日期	2018
ISSN	17545692
起始页码	3400
结束页码	3407
卷号	11 期号:12
英文摘要	Dendrite formation is one of the most pressing issues in current battery research. Lithium based batteries are prone to forming short-circuit causing dendrites, while magnesium based batteries are not. Recently it was proposed that the tendency towards dendrite growth is related to the height of the self-diffusion barrier with high barriers leading to rough surface growth which that subsequently cause dendrite formation, which was supported by density functional theory calculations for Li, Na and Mg [J. Chem. Phys., 2014, 141, 174710]. We now extend this computational study to zinc and aluminum which are also used as battery anode materials, and we additionally consider diffusion barriers that are relevant for three-dimensional growth such as barriers for diffusion across steps. Our results indicate, in agreement with experimental observations, that Li dendrite growth is an inherent property of the metal, whereas Zn dendrite growth results from the loss of metallic properties in conventional Zn powder electrodes. © 2018 The Royal Society of Chemistry.
英文关键词	Anodes; Computation theory; Density functional theory; Electric batteries; Lithium batteries; Battery anodes; Computational studies; Dendrite formation; Dendrite growth; Metallic properties; Powder electrodes; Rough surfaces; Three-dimensional growth; Diffusion barriers; aluminum; density; electrode; lithium; magnesium; theory; zinc
语种	英语
来源期刊	Energy & Environmental Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/190055
作者单位	Helmholtz Institut Ulm (HIU) Electrochemical Energy Storage, Ulm, 89069, Germany; Institute of Theoretical Chemistry, Ulm University, Ulm, 89069, Germany
推荐引用方式 GB/T 7714	Jäckle M.,Helmbrecht K.,Smits M.,et al. Self-diffusion barriers: Possible descriptors for dendrite growth in batteries?[J],2018,11(12).
APA	Jäckle M.,Helmbrecht K.,Smits M.,Stottmeister D.,&Groß A..(2018).Self-diffusion barriers: Possible descriptors for dendrite growth in batteries?.Energy & Environmental Science,11(12).
MLA	Jäckle M.,et al."Self-diffusion barriers: Possible descriptors for dendrite growth in batteries?".Energy & Environmental Science 11.12(2018).