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Lithium-ion batteries (LIBs) are the leading technology used in consumer electronics, electric vehicles, and grid-level electrochemical energy storage applications. The ever-increasing use of LIBs has highlighted a gap in understanding of…
We present a high-throughput computational screening for fast lithium-ion conductors to identify promising materials for application in all solid-state electrolytes. Starting from more than 30,000 Li-containing experimental structures…
The development of multifunctional solid-state materials is key to advancing lithium-ion batteries with enhanced safety and simplified architectures. Here, we report a scalable, highly efficient (near $100\%$), solvent-free mechanochemical…
The increasing demand for energy storage solutions has spurred intensive research into next-generation battery technologies. Oxygen-ion batteries (OIBs), which leverage mixed ionic-electronic conducting (MIEC) oxides, have emerged as…
Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…
Sodium-ion batteries exhibit significant promise as a viable alternative to current lithium-ion technologies owing to their sustainability, low cost per energy density, reliability, and safety. Despite recent advancements in cathode…
Advancing lithium-ion batteries (LIBs) in both design and usage is key to promoting electrification in the coming decades to mitigate human-caused climate change. Inadequate understanding of LIB degradation is an important bottleneck that…
Due to the increasing volume of Electric Vehicles in automotive markets and the limited lifetime of onboard lithium-ion batteries (LIBs), the large-scale retirement of LIBs is imminent. The battery packs retired from Electric Vehicles still…
Accurately predicting the state of health for sodium-ion batteries is crucial for managing battery modules, playing a vital role in ensuring operational safety. However, highly accurate models available thus far are rare due to a lack of…
The rapid development of computational materials science powered by machine learning (ML) is gradually leading to solutions to several previously intractable scientific problems. One of the most prominent is machine learning interatomic…
Solid state battery technology is motivated by the desire to deliver flexible power storage in a safe and efficient manner. The increasingly widespread use of batteries from mass-production facilities highlights the need for a rapid and…
High quality scanning transmission electron microscopy (STEM) data acquisition and analysis has become increasingly important due to the commercial demand for investigating the properties of complex materials such as battery cathodes;…
Alkali metal ion batteries, and in particular Li-ion batteries, have become a key technology for current and future energy storage, already nowadays powering many devices of our daily lives. Due to the inherent complexity of batteries and…
Polymer electrolytes are critical for safe, high-energy-density solid-state batteries, yet discovering candidates that balance high ionic conductivity with high transference numbers remains a significant challenge. In this work, we develop…
Critical to the development of improved solid oxide fuel cell (SOFC) technology are novel compounds with high oxygen reduction reaction (ORR) catalytic activity and robust stability under cathode operating conditions. Approximately 2145…
Natural abundance, impressive chemical characteristics and economic feasibility have rekindled the appeal for rechargeable sodium (Na) batteries as a practical solution for the growing energy demand, environmental sustainability and energy…
The development of new battery materials, particularly novel cathode chemistries, is essential for enabling next generation energy storage technologies. In this work, we employ a multi-fidelity screening protocol combining the Energy-GNoME…
Metal superhydrides, known for their high hydrogen content and polyhedral hydrogen cages, are promising candidates for high-temperature superconductivity. Recent research has emphasized "chemical pre-compression," enabling hydrogen…
Given increasing energy storage demands and limited natural resources of Li, K-ion batteries (KIBs) could be promising next-generation systems having natural abundance, similar chemistry and energy density. Here, we have investigated the…
Metal components are extensively used as current collectors, anodes, and interlayers in lithium-ion batteries. Integrating these functions into one component enhances the cell energy density and simplifies its design. However, this…