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Inspired by the wisdom of metallurgists in designing new alloys, the Integrated Computational Materials Engineering (ICME) based design strategy is proposed for development of Si based anodes for Li-ion batteries (LIBs). The strategy starts…

Materials Science · Physics 2020-12-08 Keke Chang , Yong Du

With the importance of Li-ion and emerging alternative batteries to our electric future, predicting new sustainable materials, electrolytes and complete cells that safely provide high performance, long life, energy dense capability is…

Materials Science · Physics 2022-07-26 Alex Grant , Colm O'Dwyer

Solid-state batteries (SSB) are emerging as next-generation electrochemical energy storage devices. Achieving high energy density in SSB relies on solid polymer electrolytes (SPE) that are electrochemically stable against both lithium metal…

Soft Condensed Matter · Physics 2026-01-07 Amaury Coste , Thomas Meyer , Claire Villevielle , Fannie Alloin , Stefano Mossa , Benoit Coasne

The most promising solid electrolytes for all-solid-state Li batteries are oxide and sulfide ceramics. Current ceramic solid electrolytes are brittle and lack the toughness to withstand the mechanical stresses of repeated charge and…

Materials Science · Physics 2023-03-22 Anton Van der Ven , Robert M. McMeeking , Raphaële J. Clément , Krishna Garikipati

LiMn2O4 (LMO), cathodes present large stability when cycled in aqueous electrolytes, contrasting its behavior in conventional organic electrolytes in Lithium-ion batteries (LIBs). To elucidate the mechanisms underlying this distinctive…

The concept of green in a battery involves the chemical nature of electrodes and electrolytes as well as the economic sustainability of the cell. Although these aspects are typically discussed separately, they are deeply interconnected:…

The sustainable utilization of lithium-ion batteries (LIBs) is crucial to the global energy transition and carbon neutrality, yet data scarcity and heterogeneity remain major barriers across remanufacturing, reusing, and recycling. This…

Machine Learning · Computer Science 2025-09-29 Shengyu Tao

The recent geopolitical crisis resulted in a gas price surge. Although lithium-ion batteries represent the best available rechargeable battery technology, a significant energy and power density gap exists between LIBs and petrol/gasoline.…

Computational Engineering, Finance, and Science · Computer Science 2023-09-06 Dibakar Datta

Mixed ionic-electronic conductors (MIECs) exhibit both high ionic and electronic conductivity to improve the battery performance. In this work, we investigate the mechanism and stability of transport channels in our recently developed MIEC…

Materials Science · Physics 2026-05-29 Selva Chandrasekaran Selvaraj , Daiwei Wang , Donghai Wang , Anh T. Ngo

Understanding electrochemical phenomena at complex liquid solid interfaces requires linking real time structural dynamics with atomic scale interfacial chemistry. Here, we integrate operando synchrotron X-ray fluorescence and diffraction…

All solid state Li-ion batteries employing metallic lithium as an anode offer higher energy densities while also being safer than conventional liquid electrolyte based Li-ion batteries. However, the growth of tiny filaments of lithium…

Applied Physics · Physics 2020-01-20 Vikalp Raj , Varun R Kankanallu , Bibhatsu Kuiri , Naga Phani B Aetukuri

Battery electrode surfaces are generally coated with electronically insulating solid films of thickness 1-50 nm. Both electrons and Li+ can move at the electrode-surface film interface in response to the voltage, which adds complexity to…

Materials Science · Physics 2015-07-10 Kevin Leung , Andrew Leenheer

The development of solid-state batteries (SSBs) is hindered by degradation at solid-solid interfaces due to void formation and contact loss, resulting in increased impedance. Here, we systematically investigate the roles of real and…

Materials Science · Physics 2025-04-21 Md Salman Rabbi Limon , Curtis Duffee , Zeeshan Ahmad

Layered LiMO2 (M = Ni, Co, Mn, and Al mixture) cathode materials used for Li-ion batteries are reputed to be highly reactive through their surface, where the chemistry changes rapidly when exposed to ambient air. However, conventional…

Fabrics of continuous fibers of carbon nanotubes (CNTFs) are attractive materials for multifunctional energy storage devices, either as current collector, or as active material. Despite a similar chemical composition,…

Applied Physics · Physics 2020-08-21 Nicola Boaretto , Moumita Rana , Rebeca Marcilla , Juan José Vilatela

Non-destructive characterization of lithium-ion batteries provides critical insights for optimizing performance and lifespan while preserving structural integrity. Optimizing electrolyte design in commercial LIBs requires consideration of…

Lithium thiophosphate (LPS) is a promising solid electrolyte for next-generation lithium-ion batteries due to its superior energy storage, high ionic conductivity, and low-flammability components. Despite its potential, the high reactivity…

Materials Science · Physics 2025-09-23 Hanna Türk , Davide Tisi , Michele Ceriotti

Dendrite free electrodeposition of lithium metal is necessary for the adoption of high energy density rechargeable lithium metal batteries. Here, we demonstrate a new mechanism of using a liquid crystalline electrolyte to suppress dendrite…

Applied Physics · Physics 2020-10-29 Zeeshan Ahmad , Zijian Hong , Venkatasubramanian Viswanathan

It is of great importance to develop inorganic solid electrolytes with high ionic conductivity, thus enabling solid state Li-ion batteries to address the notorious safety issue about the current technology due to use of highly flammable…

Chemical Physics · Physics 2017-07-17 Zhuo Wang , Min Jie Xuan , Hong Jie Xu , Guosheng Shao

The entirely soft and transformable room-temperature liquid metal battery based on 3D hybrid printing was proposed and experimentally demonstrated. Liquid metal gallium and conductive gel were employed as the negative and positive electrode…

Applied Physics · Physics 2018-02-07 Fujun Liu , Yongze Yu , Lei Wang , Liting Yi , Jinrong Lu , Bin Yuan , Sicong Tan , Jing Liu