In situ NMR diffusion coefficients assessment of lithium ion conductor using electrochemical priors and Arrhenius constraint-A computational study

	In situ NMR diffusion coefficients assessment of lithium ion conductor using electrochemical priors and Arrhenius constraint-A computational study
	Deng, Liang 1,2; Yang, Wen-Hui 2; Lyu, Xing 2; Wei, Shu-Feng 2; Wang, Zheng 2; Wang, Hui-Xian 2
刊名	CHINESE CHEMICAL LETTERS
	2017-02-01
卷号	28 期号:2 页码:362-366
关键词	Lithium Ion Conductor Diffusion Coefficient Nuclear Magnetic Resonance Pulsed-field Gradient Electrochemical Priors
英文摘要	In situ NMR measurements of the diffusion coefficients, including an estimate of signal strength, of lithium ion conductor using diffusion-weighting pulse sequence are performed in this study. A cascade bilinear model is proposed to estimate the diffusion sensitivity factors of pulsed-field gradient using prior information of the electrochemical performance and Arrhenius constraint. The model postulates that the active lithium nuclei participating electrochemical reaction are relevant to the NMR signal intensity, when discharge rate or temperature condition is varying. The electrochemical data and the NMR signal strength show a highly fit with the proposed model according our simulation and experiments. Furthermore, the diffusion time is constrained by temperature based on Arrhenius equation of reaction rates dependence. An experimental calculation of Li4Ti5O12 (LTO)/carbon nanotubes (CNTs) with the electrolyte evaluating at 20 degrees C is presented, which the b factor is estimated by the discharge rate. (C) 2016 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/38110]
专题	化学研究所_工程塑料实验室
作者单位	1.Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China 2.Chinese Acad Sci, Inst Elect Engn, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Deng, Liang,Yang, Wen-Hui,Lyu, Xing,et al. In situ NMR diffusion coefficients assessment of lithium ion conductor using electrochemical priors and Arrhenius constraint-A computational study[J]. CHINESE CHEMICAL LETTERS,2017,28(2):362-366.
APA	Deng, Liang,Yang, Wen-Hui,Lyu, Xing,Wei, Shu-Feng,Wang, Zheng,&Wang, Hui-Xian.(2017).In situ NMR diffusion coefficients assessment of lithium ion conductor using electrochemical priors and Arrhenius constraint-A computational study.CHINESE CHEMICAL LETTERS,28(2),362-366.
MLA	Deng, Liang,et al."In situ NMR diffusion coefficients assessment of lithium ion conductor using electrochemical priors and Arrhenius constraint-A computational study".CHINESE CHEMICAL LETTERS 28.2(2017):362-366.