TY - JOUR
AU - Saul H Lapidus
AU - Nav Nidhi Rajput
AU - Xiaohui Qu
AU - Karena W Chapman
AU - Kristin A Persson
AU - Peter J Chupas
AB - <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>
BT - Physical Chemistry Chemical Physics
DA - 09/2014
DO - 10.1039/C4CP03015J
LA - eng
N2 - <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>
PY - 2014
T2 - Physical Chemistry Chemical Physics
TI - Solvation structure and energetics of electrolytes for multivalent energy storage
ER -