High throughput methodology for synthesis, screening, and optimization of solid state Lithium ion electrolytes

Beal, Mark, Hayden, Brian E., Le Gall, Thierry, Lee, Christopher E., Lu, Xiaojuan, Mirsaneh, Mehdi, Mormiche, Claire, Pasero, Denis, Smith, Duncan C.A., Weld, Andrew, Yada, Chihiro and Yokoishi, Shoji (2011) High throughput methodology for synthesis, screening, and optimization of solid state Lithium ion electrolytes. ACS Combinatorial Science, 13, (4), 375-381. (doi:10.1021/co100075f).


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A study of the lithium ion conductor Li3xLa2/3–xTiO3 solid solution and the surrounding composition space was carried out using a high throughput physical vapor deposition system. An optimum total ionic conductivity value of 5.45 × 10–4 S cm–1 was obtained for the composition Li0.17La0.29Ti0.54 (Li3xLa2/3–xTiO3x = 0.11). This optimum value was calculated using an artificial neural network model based on the empirical data. Due to the large scale of the data set produced and the complexity of synthesis, informatics tools were required to analyze the data. Partition analysis was carried out to determine the synthetic parameters of importance and their threshold values. Multivariate curve resolution and principal component analysis were applied to the diffraction data set. This analysis enabled the construction of phase distribution diagrams, illustrating both the phases obtained and the compositional zones in which they occur. The synthetic technique presented has significant advantages over other thin film and bulk methodologies, in terms of both the compositional range covered and the nature of the materials produced

Item Type: Article
Digital Object Identifier (DOI): doi:10.1021/co100075f
Additional Information: Gold Open Access 02/05/13
ISSNs: 2156-8952 (print)
2156-8944 (electronic)
Keywords: solid state electrolyte, thin film, neural network
Subjects: T Technology > TP Chemical technology
Divisions : Faculty of Natural and Environmental Sciences > Chemistry > Electrochemistry
ePrint ID: 337045
Accepted Date and Publication Date:
11 July 2011Published
11 April 2011Made publicly available
Date Deposited: 16 Apr 2012 15:26
Last Modified: 31 Mar 2016 14:26
URI: http://eprints.soton.ac.uk/id/eprint/337045

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