Related papers: A large scale multi-modal workflow for battery cha…
Autonomous experimentation systems have been used to greatly advance the integrated computational materials engineering (ICME) paradigm. This paper outlines a framework that enables the design and selection of data collection workflows for…
Accurate prediction of lithium-ion battery lifespan is vital for ensuring operational reliability and reducing maintenance costs in applications like electric vehicles and smart grids. This study presents a hybrid learning framework for…
A major challenge in the development of new battery materials is understanding their fundamental mechanisms of operation and degradation. Their microscopically inhomogeneous nature calls for characterization tools that provide operando and…
In Li-ion batteries the electrochemical potential drives the redox reactions occurring at the interface between electrolyte and storage material, typically active particles for porous electrodes, allowing Li ions intercalation/extraction…
Advancements in lithium battery technology heavily rely on the design and engineering of electrolytes. However, current schemes for molecular design and recipe optimization of electrolytes lack an effective computational-experimental closed…
Multivalent batteries are an energy storage technology with the potential to surpass lithium-ion batteries, however their performance has been limited by the low voltages and poor solid-state ionic mobility of available cathodes. A…
The time-consuming formation process critically impacts the longevity of sodium-ion coin cells and End Of Life (EOL) performance. This study aims to optimize formation protocols for duration efficiency, targeting high-performance outcomes…
Recent improvements in additive manufacturing and high-throughput material synthesis have enabled the discovery of novel metallic materials for extreme environments. However, high-fidelity testing of advanced mechanical properties such as…
The number of smart devices wear and carry by users is growing rapidly which is driven by innovative new smart wearables and interesting service o erings. This has led to applications that utilize multiple devices around the body to provide…
Dendrite growth is a long-standing challenge that has limited the applications of rechargeable lithium metal electrodes. Here, we developed a grand potential based nonlinear phase-field model to study the electrodeposition of lithium as…
Electrolyte is a very important part of rechargeable batteries such as lithium batteries. However, the electrolyte innovation is facing grand challenges due to the complicated solution chemistry and infinite molecular space (>1060 for small…
Battery aging is a natural process that contributes to capacity and power fade, resulting in a gradual performance degradation over time and usage. State of Charge (SOC) and State of Health (SOH) monitoring of an aging battery poses a…
Modern TEM instrumentation can probe a wide range of structural, optical, and chemical properties with unprecedented resolution. However, each of these properties must be recorded in independent datasets using different detector modes with…
An essential task in analyzing collaborative design processes, such as those that are part of workshops in design studies, is identifying design outcomes and understanding how the collaboration between participants formed the results and…
This study provides a comprehensive overview of recent advances in electrochemical energy storage, including Na+ -ion, metal-ion, and metal-air batteries, alongside innovations in electrode engineering, electrolytes, and solid-electrolyte…
LixTMO2 (TM=Ni, Co, Mn) forms an important family of cathode materials for Li-ion batteries, whose performance is strongly governed by Li composition-dependent crystal structure and phase stability. Here, we use LixCoO2 (LCO) as a model…
Electrochemical devices often consist of multicomponent electrolyte solutions. Two processes influence the overall dynamics of these devices: the formation of electrical double layers and chemical conversion due to redox reactions. However,…
As an anode material for lithium-ion batteries, amorphous silicon offers a significantly higher energy density than the graphite anodes currently used. Alloying reactions of lithium and silicon, however, induce large deformation and lead to…
From a data perspective, the materials mechanics field is characterized by sparsity of available data, mainly due to the strong microstructure-sensitivity of properties like strength, fracture toughness, and fatigue limit. This requires…
Machine learning interatomic potentials (MLIPs) trained on large, chemically diverse datasets are revolutionizing computational chemistry, enabling molecular dynamics simulations of battery electrolytes with near-DFT accuracy over 10,000…