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Catching TFSI: A Computational–Experimental Approach to β‐Cyclodextrin‐Based Host–Guest Systems as electrolytes for Li‐Ion Batteries

Overview of attention for article published in ChemSusChem, April 2018
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Title
Catching TFSI: A Computational–Experimental Approach to β‐Cyclodextrin‐Based Host–Guest Systems as electrolytes for Li‐Ion Batteries
Published in
ChemSusChem, April 2018
DOI 10.1002/cssc.201800221
Pubmed ID
Authors

Steffen Jeschke, Piotr Jankowski, Adam S. Best, Patrik Johansson

Abstract

Cyclodextrins (CDs) are pyranoside-based macromolecules with a hydrophobic cavity to encapsulate small molecules. They are used as molecular vehicles, for instance in pharmaceutical drug delivery or as solubility enhancer of monomers for their polymerization in aqueous solution. In this context, it was discovered about 10 years ago that the bis(trifluoromethylsulonyl)imide (TFSI) anion forms host-guest complexes with βCD in aqueous media. This sparked interest in using the TFSI anion in lithium-based battery electrolytes open for its encapsulation by βCD as an attractive approach to increase the contribution of the cation to the total ion conductivity. By using semi-empirical quantum mechanical (SQM) methods and the conductor-like screening model for a real solvent (COSMO-RS), a randomly methylated βCD (RMβCD) is here identified as a suitable host for TFSI when using organic solvents often used in battery technology. By combining molecular dynamics (MD) simulations with different NMR and FTIR experiments, the formation of the corresponding RMβCD-TFSI complex was investigated. Finally, the effects of the addition RMβCD to a set of electrolytes on the ion conductivity are measured and explained using three distinct scenarios.

Twitter Demographics

The data shown below were collected from the profile of 1 tweeter who shared this research output. Click here to find out more about how the information was compiled.

Mendeley readers

The data shown below were compiled from readership statistics for 9 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 9 100%

Demographic breakdown

Readers by professional status Count As %
Researcher 3 33%
Professor 1 11%
Student > Postgraduate 1 11%
Other 1 11%
Unknown 3 33%
Readers by discipline Count As %
Materials Science 4 44%
Chemistry 1 11%
Unknown 4 44%

Attention Score in Context

This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 19 April 2018.
All research outputs
#11,787,340
of 13,281,196 outputs
Outputs from ChemSusChem
#2,476
of 3,126 outputs
Outputs of similar age
#234,033
of 269,214 outputs
Outputs of similar age from ChemSusChem
#44
of 94 outputs
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So far Altmetric has tracked 3,126 research outputs from this source. They receive a mean Attention Score of 3.0. This one is in the 1st percentile – i.e., 1% of its peers scored the same or lower than it.
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We're also able to compare this research output to 94 others from the same source and published within six weeks on either side of this one. This one is in the 1st percentile – i.e., 1% of its contemporaries scored the same or lower than it.