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High Throughput Electrochemical Screening of Phosphate-Rich Nonflammable Electrolytes in Lithium-Ion Batteries

Journal Article · · Journal of the Electrochemical Society

Frequent fires and explosions in lithium-ion batteries (LIBs) used in grid energy storage systems (ESS) highlight the necessity of revisiting nonflammable phosphate electrolytes as alternatives to the currently used flammable carbonates. However, previous studies have shown the difficulty of integrating phosphate solvents into LIB electrolytes due to compatibility issues with graphite. In this work, we developed a high-throughput (HTP) electrochemical characterization method, akin to pH test paper, to rapidly screen potential phosphate electrolytes and graphite materials. Through HTP screening, we identified 101 promising combinations out of 1,740. This number was reduced to 26 after testing in Li/Graphite half cells. The optimized phosphate-rich electrolyte (60 v% phosphate) with cosolvents demonstrated 300 stable cycles at 0.1 C in Graphite/LiFePO 4 (LFP) full cells with thick electrodes (∼3.0 mAh cm −2 ), surpassing prior research findings. This unique HTP method provides a powerful tool to expedite the development of safe LIBs for ESS applications.

Sponsoring Organization:
USDOE
OSTI ID:
2448028
Alternate ID(s):
OSTI ID: 2447002
OSTI ID: 2475633
Journal Information:
Journal of the Electrochemical Society, Journal Name: Journal of the Electrochemical Society Journal Issue: 9 Vol. 171; ISSN 0013-4651
Publisher:
The Electrochemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (40)

Thermal Runaway of Nonflammable Localized High‐Concentration Electrolytes for Practical LiNi0.8Mn0.1Co0.1O2|Graphite‐SiO Pouch Cells journal September 2022
Is Nonflammability of Electrolyte Overrated in the Overall Safety Performance of Lithium Ion Batteries? A Sobering Revelation from a Completely Nonflammable Electrolyte journal December 2022
Ethylene carbonate/ether mixed solvents electrolyte for lithium batteries journal October 1984
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations journal September 2010
Dataset of fire tests with lithium-ion battery electric vehicles in road tunnels journal February 2023
Graphitic platelets prepared by electrochemical exfoliation of graphite and their application for Li energy storage journal June 2011
Designing an intrinsically safe organic electrolyte for rechargeable batteries journal October 2020
Ion–solvent chemistry in lithium battery electrolytes: From mono-solvent to multi-solvent complexes journal July 2021
Real-World Challenges with a Rapid Transition to 100% Renewable Power Systems journal March 2018
Comparative study of trimethyl phosphite and trimethyl phosphate as electrolyte additives in lithium ion batteries journal June 2005
Dimethyl methylphosphonate-based nonflammable electrolyte and high safety lithium-ion batteries journal November 2007
Degradation diagnostics for lithium ion cells journal February 2017
Future energy infrastructure, energy platform and energy storage journal December 2022
The TWh challenge: Next generation batteries for energy storage and electric vehicles journal March 2023
High-throughput solubility determination for data-driven materials design and discovery in redox flow battery research journal October 2023
Safer Triethyl-Phosphate-Based Electrolyte Enables Nonflammable and High-Temperature Endurance for a Lithium Ion Battery journal January 2020
Nonflammable Electrolytes for Lithium Ion Batteries Enabled by Ultraconformal Passivation Interphases journal September 2019
Fluorinated Electrolytes for Li-Ion Batteries: The Lithium Difluoro(oxalato)borate Additive for Stabilizing the Solid Electrolyte Interphase journal December 2017
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields journal November 1994
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids journal January 1996
Thermal runaway of Lithium-ion batteries employing LiN(SO2F)2-based concentrated electrolytes journal October 2020
Fire-extinguishing organic electrolytes for safe batteries journal November 2017
Non-flammable electrolytes with high salt-to-solvent ratios for Li-ion and Li-metal batteries journal July 2018
All-temperature batteries enabled by fluorinated electrolytes with non-polar solvents journal October 2019
High-throughput combinatorial screening of multi-component electrolyte additives to improve the performance of Li metal secondary batteries journal April 2019
A highly concentrated phosphate-based electrolyte for high-safety rechargeable lithium batteries journal January 2018
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient journal January 1993
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy journal January 2005
Accurate Coulomb-fitting basis sets for H to Rn journal January 2006
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal April 2010
Density‐functional thermochemistry. III. The role of exact exchange journal April 1993
Towards high throughput screening of electrochemical stability of battery electrolytes journal August 2015
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density journal January 1988
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis journal August 1980
Nonflammable Trimethyl Phosphate Solvent-Containing Electrolytes for Lithium-Ion Batteries: I. Fundamental Properties journal January 2001
An Attempt to Formulate Nonflammable Lithium Ion Electrolytes with Alkyl Phosphates and Phosphazenes journal January 2002
High-Concentration Trimethyl Phosphate-Based Nonflammable Electrolytes with Improved Charge–Discharge Performance of a Graphite Anode for Lithium-Ion Cells journal January 2006
LiBOB as Electrolyte Salt or Additive for Lithium-Ion Batteries Based on LiNi[sub 0.8]Co[sub 0.15]Al[sub 0.05]O[sub 2]/Graphite journal January 2010
Electrochemical Intercalation/De-Intercalation of Lithium Ions at Graphite Negative Electrode in TMP-Based Electrolyte Solution journal January 2012
Electrolyte Development for Non-Aqueous Redox Flow Batteries Using a High-Throughput Screening Platform journal January 2014

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