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Due to the hydrolytic instability of $LiPF_6$ in carbonate-based solvents, HF is a typical impurity in Li-ion battery electrolytes. HF significantly influences the performance of Li-ion batteries, for example by impacting the formation of…
Revealing the dynamic structural evolution and lithium transport properties during the charge/discharge processes is crucial for optimizing graphite anodes in lithium-ion batteries, enabling high stability and fast-charging performance.…
Modeling lithium-ion battery (LIB) degradation offers significant cost savings and enhances the safety and reliability of electric vehicles (EVs) and battery energy storage systems (BESS). Whilst data-driven methods have received great…
The prediction of battery rate performance traditionally relies on computation-intensive numerical simulations. While simplified analytical models have been developed to accelerate the calculation, they usually assume battery performance to…
Fluoroethylene carbonate (FEC) shows promise as an electrolyte additive for improving passivating solid-electrolyte interphase (SEI) films on silicon anodes used in lithium ion batteries (LIB). We apply density functional theory (DFT), ab…
Passivating solid-electrolyte interphase (SEI) films arising from electrolyte decomposition on low-voltage lithium ion battery anode surfaces are critical for battery operations. We review the recent theoretical literature on electrolyte…
Lithium is a critical material for the energy transition, but conventional procurement methods have significant environmental impacts. In this study, we utilize regional energy system optimizations to investigate the techno-economic…
Lithium-air batteries have been considered as ultimate solutions for the power source of long-range electrified transportation, but state-of-the-art prototypes still suffer from short cycle life, low efficiency and poor power output. Here,…
Silicon is a promising anode material for next-generation lithium-ion batteries due to its exceptionally high specific capacity (3600 mAh g$^{-1}$), significantly exceeding that of conventional graphite. However, its practical application…
An increasing number of electric loads, such as hydrogen producers or data centers, can be characterized as carbon-sensitive, meaning that they are willing to adapt the timing and/or location of their electricity usage in order to minimize…
Deep learning applications at the network edge lead to a significant growth in AI-related carbon emissions, presenting a critical sustainability challenge. The existing edge computing frameworks optimize for latency and throughput, but they…
Among the 'beyond Li-ion' battery chemistries, nonaqueous Li-O$_2$ batteries have the highest theoretical specific energy and as a result have attracted significant research attention over the past decade. A critical scientific challenge…
We review recent ab initio molecular dynamics studies of electrode/electrolyte interfaces in lithium ion batteries. Our goals are to introduce experimentalists to simulation techniques applicable to models which are arguably most faithful…
Low ambient temperatures significantly reduce Lithium ion batteries' (LIBs') charge/discharge power and energy capacity, and cause rapid degradation through lithium plating. These limitations can be addressed by preheating the LIB with an…
A data-driven solution is provided for the fast-charging problem of lithium-ion batteries with multiple safety and aging constraints. The proposed method optimizes the charging current based on the observed history of measurable battery…
The decomposition of ethylene carbonate (EC) during the initial growth of solid-electrolyte interphase (SEI) films at the solvent-graphitic anode interface is critical to lithium ion battery operations. Ab initio molecular dynamics…
To limit global warming to pre-industrial levels, global governments, industry and academia are taking aggressive efforts to reduce carbon emissions. The evaluation of anthropogenic carbon dioxide (CO$_2$) emissions, however, depends on the…
This paper presents the development of machine learning-enabled data-driven models for effective capacity predictions for lithium-ion batteries under different cyclic conditions. To achieve this, a model structure is first proposed with the…
Health evaluation for lithium-ion batteries (LIBs) typically relies on constant charging/discharging protocols, often neglecting scenarios involving dynamic current profiles prevalent in electric vehicles. Conventional health indicators for…
Passivating lithium ion battery electrode surfaces to prevent electrolyte decomposition is critical for battery operations. Recent work on conformal atomic layer deposition (ALD) coating of anodes and cathodes has shown significant…