Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries
Rechargeable batteries have become indispensable implements in our daily life and are
considered a promising technology to construct sustainable energy systems in the future …
considered a promising technology to construct sustainable energy systems in the future …
A review of solid electrolyte interphase (SEI) and dendrite formation in lithium batteries
B Li, Y Chao, M Li, Y **ao, R Li, K Yang, X Cui… - Electrochemical Energy …, 2023 - Springer
Lithium-metal batteries with high energy/power densities have significant applications in
electronics, electric vehicles, and stationary power plants. However, the unstable lithium …
electronics, electric vehicles, and stationary power plants. However, the unstable lithium …
Ion transport kinetics in low‐temperature lithium metal batteries
The deployment of rechargeable batteries is crucial for the operation of advanced portable
electronics and electric vehicles under harsh environment. However, commercial lithium‐ion …
electronics and electric vehicles under harsh environment. However, commercial lithium‐ion …
Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries
A passivation layer called the solid electrolyte interphase (SEI) is formed on electrode
surfaces from decomposition products of electrolytes. The SEI allows Li+ transport and …
surfaces from decomposition products of electrolytes. The SEI allows Li+ transport and …
Molecular dynamics simulations of ionic liquids and electrolytes using polarizable force fields
Many applications in chemistry, biology, and energy storage/conversion research rely on
molecular simulations to provide fundamental insight into structural and transport properties …
molecular simulations to provide fundamental insight into structural and transport properties …
Anionic coordination manipulation of multilayer solvation structure electrolyte for high‐rate and low‐temperature lithium metal battery
Challenges from high‐energy‐density storage applications have boosted the pursuit of
designing high‐rate and low‐temperature lithium (Li) metal batteries (LMBs). Formulating …
designing high‐rate and low‐temperature lithium (Li) metal batteries (LMBs). Formulating …
Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning
For 35 years, ab initio molecular dynamics (AIMD) has been the method of choice for
modeling complex atomistic phenomena from first principles. However, most AIMD …
modeling complex atomistic phenomena from first principles. However, most AIMD …
Effect of the electric double layer (EDL) in multicomponent electrolyte reduction and solid electrolyte interphase (SEI) formation in lithium batteries
Electrolytes, consisting of salts, solvents, and additives, must form a stable solid electrolyte
interphase (SEI) to ensure the performance and durability of lithium (Li)-ion batteries …
interphase (SEI) to ensure the performance and durability of lithium (Li)-ion batteries …
The influence of FEC on the solvation structure and reduction reaction of LiPF6/EC electrolytes and its implication for solid electrolyte interphase formation
Fluoroethylene carbonate (FEC) has been proposed as an effective electrolyte additive that
enhances the stability and elasticity of the solid electrolyte interphase (SEI) of emerging Si …
enhances the stability and elasticity of the solid electrolyte interphase (SEI) of emerging Si …
The state of understanding of the lithium-ion-battery graphite solid electrolyte interphase (SEI) and its relationship to formation cycling
An in-depth historical and current review is presented on the science of lithium-ion battery
(LIB) solid electrolyte interphase (SEI) formation on the graphite anode, including structure …
(LIB) solid electrolyte interphase (SEI) formation on the graphite anode, including structure …