Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Controlling $\text{Li}^+$ transport in ionic liquid electrolytes through
  salt content and anion asymmetry: A mechanistic understanding gained from
  molecular dynamics simulations   In this work, we report the results from molecular dynamics simulations of
lithium salt-ionic liquid electrolytes (ILEs) based either on the symmetric
bis[(trifluoromethyl)sulfonyl]imide ($\text{TFSI}^-$) anion or its asymmetric
analog 2,2,2-(trifluoromethyl)sulfonyl-N-cyanoamide ($\text{TFSAM}^-$).
Relating lithium's coordination environment to anion mean residence times and
diffusion constants confirms the remarkable transport behaviour of the
$\text{TFSAM}^-$-based ILEs that has been observed in recent experiments: For
increased salt doping, the lithium ions must compete for the more attractive
cyano over oxygen coordination and a fragmented landscape of solvation
geometries emerges, in which lithium appears to be less strongly bound. We
present a novel, yet statistically straightforward methodology to quantify the
extent to which lithium and its solvation shell are dynamically coupled. By
means of a Lithium Coupling Factor (LCF) we demonstrate that the shell anions
do not constitute a stable lithium vehicle, which suggests for this electrolyte
material the commonly termed "vehicular" lithium transport mechanism could be
more aptly pictured as a correlated, flow-like motion of lithium and its
neighbourhood. Our analysis elucidates two separate causes why lithium and
shell dynamics progressively decouple with higher salt content: On the one
hand, an increased sharing of anions between lithium limits the achievable LCF
of individual lithium-anion pairs. On the other hand, weaker binding
configurations naturally entail a lower dynamic stability of the lithium-anion
complex, which is particularly relevant for the $\text{TFSAM}^-$-containing
ILEs.

37
The categories of this paper are: supr-con
20
The categories of this paper are: acc-phys
8
The categories of this paper are: hep-ex
21
The categories of this paper are: adap-org
11
The categories of this paper are: hep-lat
36
The categories of this paper are: cmp-lg
28
The categories of this paper are: alg-geom
1
The categories of this paper are: cs
24
The categories of this paper are: dg-ga
0
The categories of this paper are: hep-ph
6
The categories of this paper are: astro-ph
14
The categories of this paper are: math-ph
35
The categories of this paper are: mtrl-th
26
The categories of this paper are: bayes-an
9
The categories of this paper are: nlin
15
The categories of this paper are: nucl-ex