%0 Journal Article
%A Saul H Lapidus
%A Nav Nidhi Rajput
%A Xiaohui Qu
%A Karena W Chapman
%A Kristin A Persson
%A Peter J Chupas
%B Physical Chemistry Chemical Physics
%D 2014
%G eng
%R 10.1039/C4CP03015J
%T Solvation structure and energetics of electrolytes for multivalent energy storage
%8 09/2014
%X <p>By analysing X-ray pair distribution function data using a multivariate statistical approach, we isolate the cation solvation structure for monovalent (Li+ /Na+ /K+ ) and multivalent (Mg2+/Ca2+/Zn2+) electrolytes based on TFSI salts in diglyme. Parallel molecular dynamics simulations provide enhanced structural details. The data suggest that contact ion-pairs are a common feature in multivalent electrolytes.</p>