Elucidating solvation structures for rational design of multivalent electrolytes—a review

NN Rajput, TJ Seguin, BM Wood, X Qu… - … Energy Storage at the …, 2018 - Springer
Fundamental molecular-level understanding of functional properties of liquid solutions
provides an important basis for designing optimized electrolytes for numerous applications …

Insights into Anion‐Solvent Interactions to Boost Stable Operation of Ether‐Based Electrolytes in Pure‐SiOx||LiNi0.8Mn0.1Co0.1O2 Full Cells

YF Tian, SJ Tan, ZY Lu, DX Xu, HX Chen… - Angewandte Chemie …, 2023 - Wiley Online Library
Ether solvents with superior reductive stability promise excellent interphasial stability with
high‐capacity anodes while the limited oxidative resistance hinders their high‐voltage …

Enhanced Stability of the Carba-closo-dodecaborate Anion for High-Voltage Battery Electrolytes through Rational Design

NT Hahn, TJ Seguin, KC Lau, C Liao… - Journal of the …, 2018 - ACS Publications
Future energy applications rely on our ability to tune liquid intermolecular interactions and
achieve designer electrolytes with highly optimized properties. In this work, we demonstrate …

Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes

ER Fadel, F Faglioni, G Samsonidze, N Molinari… - Nature …, 2019 - nature.com
Electrochemical stability windows of electrolytes largely determine the limitations of
operating regimes of lithium-ion batteries, but the degradation mechanisms are difficult to …

Oxidative stabilization of dilute ether electrolytes via anion modification

J Holoubek, Q Yan, H Liu, EJ Hopkins, Z Wu… - ACS Energy …, 2022 - ACS Publications
State-of-the-art lithium metal batteries typically rely on ether electrolytes with high salt
concentration and/or fluorinated solvents to enable stable cycling. Their high manufacturing …

Density functional theory study on structure information and modification design of solid polymer electrolytes containing ester-thioether groups

Z Wang, J Ren, Y Zhao, Y Lin, R Lang… - Journal of Solid State …, 2024 - Springer
Abstract Poly (ethylene glycol dimethacrylate-1, 2-ethanedithiol)(P (EDGMA-EDT)) and poly
(ethylene glycol dimethacrylate-3, 6-dioxy-1, 8-octanedithiol)(P (EDGMA-DODT)) are …

Deciphering reduction stability of sulfone and fluorinated sulfone electrolytes: Insight from quantum chemical calculations

F Du, T Ye, Y Shi, Y Zhang, Z Qiu, W Liu, T Lv, S Duan… - Chemical Physics, 2023 - Elsevier
Sulfones and fluorinated sulfones are preferred in high-voltage lithium-ion batteries, but the
reasons for their decreased stability in various lithium salt electrolytes remain unknown …

Cathode electrolyte interface of lithium difluorobis (oxalato) phosphate at 4.4 V operation of LiCoO2 for high-energy lithium-ion batteries

S Jeong, KC Kim, SR Lee, J Mun - Electrochimica Acta, 2019 - Elsevier
For the electrolyte of lithium-ion batteries (LIBs), lithium difluorobis (oxalato) phosphate (Li-
PF 2 C 4 O 8) salt supports high surface stability of the positive electrode of LiCoO 2, even …

Ni-stabilizing additives for completion of Ni-rich layered cathode systems in lithium-ion batteries: An Ab initio study

DY Kim, I Park, Y Shin, DH Seo, YS Kang… - Journal of Power …, 2019 - Elsevier
We propose the development of Ni-stabilizing electrolyte additives to fundamentally prevent
the degradation of Ni-rich layered cathode systems in lithium-ion batteries because unstable …

Ab initio study of the operating mechanisms of tris (trimethylsilyl) phosphite as a multifunctional additive for Li-ion batteries

DY Kim, H Park, WI Choi, B Roy, J Seo, I Park… - Journal of Power …, 2017 - Elsevier
Abstract Tris (trimethylsilyl) phosphite (P (OSi (CH 3) 3) 3) is a multifunctional electrolyte
additive for scavenging HF and forming a cathode electrolyte interphase (CEI). Systematic …