| Literature DB >> 25208768 |
Saul H Lapidus1, Nav Nidhi Rajput, Xiaohui Qu, Karena W Chapman, Kristin A Persson, Peter J Chupas.
Abstract
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 (Mg(2+)/Ca(2+)/Zn(2+)) 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.Entities:
Year: 2014 PMID： 25208768 DOI： 10.1039/c4cp03015j
Source DB: PubMed Journal: Phys Chem Chem Phys ISSN： 1463-9076 Impact factor: 3.676