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Recently, a disruptive idea was reported about the discovery of a new type of battery named Liquid Displacement Battery (LDB) comprising liquid metal electrodes and molten salt electrolyte. This cell featured a novel concept of a porous…

Chemical Physics · Physics 2021-11-16 Kashif Mushtaq , Ji Zhao , Norbert Weber , Adelio Mendes , Donald R. Sadoway

Future lithium-based batteries are expected to use solid electrolytes to achieve higher energy density and fast charge capabilities. The majority of solid electrolytes are thermodynamically unstable against layered oxide cathodes. Here, the…

Silicon (Si) anodes attract a lot of research attention for their potential to enable high energy density lithium-ion batteries (LIBs). Many studies focus on nanostructured Si anodes to counteract deterioration. In this work, we model LIBs…

Chemical Physics · Physics 2024-04-23 Franziska Kilchert , Max Schammer , Arnulf Latz , Birger Horstmann

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…

Materials Science · Physics 2013-04-23 Kevin Leung

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…

Following the successful utilization of LiFePO4 as a novel cathode material for rechargeable lithium batteries, interest and efforts have grown in the research of another olivine structured material LiMnPO4 due to its higher operating…

In this work, the structural stability and the electronic properties of LiNiBO 3 and LiFe x Ni (1-x) BO 3 are studied using first principle calculations based on density functional theory. The calculated structural parameters are in good…

Materials Science · Physics 2018-05-09 Anu Maria Augustine , Vishnu Sudarsanan , Geo Sunny , P. Ravindran

The properties of the mixed system LiBH4 LiCl P2S5 are studied with respect to all-solid-state batteries. The studied material undergoes an amorphization upon heating above 601C, accompanied with increased Li+ conductivity beneficial for…

The argyrodite sulfides are getting more and more attractive as highly promising solid-state electrolytes (SSEs) for high-performance all-solid-state batteries (ASSBs), owing to their high ionic conductivity, adequate plasticity, and decent…

Materials Science · Physics 2020-10-20 Hongjie Xu , Yuran Yu , Junhua Hu , Zhuo Wang , Guosheng Shao

Enhancing the electronic and diffusion properties of lithium-ion batteries is crucial for improving the performance of the fast-growing energy storage devices. Recently, fast-charging capability of commercial-like lithium-ion anodes with…

Ultrahigh energy density batteries based on alpha-Li_xBN2 (1<x<3) positive electrode materials are predicted using density functional theory calculations. The utilization of the reversible LiBN2 + 2 Li+ + 2 e- -> Li3BN2 electrochemical cell…

Materials Science · Physics 2015-06-19 Karoly Nemeth

Solid-state electrolyte batteries are expected to replace liquid electrolyte lithium-ion batteries in the near future thanks to their higher theoretical energy density and improved safety. However, their adoption is currently hindered by…

Lithium metal batteries (LMBs), when coupled with a localized high-concentration electrolyte and a high-voltage nickel-rich cathode, offer a solution to the increasing demand for high energy density and long cycle life. However, the…

Materials Science · Physics 2024-01-12 Tao Meng , Shanshan Yang , Yitong Peng , Xiwei Lan , Pingan Li , Kangjia Hu , Xianluo Hu

Lithium-ion batteries (LIBs) have become essential in modern energy storage; however, their performance is often limited by the stability and efficiency of their components, particularly the cathode and electrolyte. Transition metal layered…

Materials Science · Physics 2025-07-15 M. D. Hashan C. Peiris , Michael Woodcox , Diana Liepinya , Robert Shepard , Hao Liu , Manuel Smeu

Lithium-ion batteries (LIBs) of high energy density and light-weight design, have found wide applications in electronic devices and systems. Degradation mechanisms that caused by lithiation is a main challenging problem for LIBs with high…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Masoud Ahmadi

Rechargeable lithium metal batteries (LMBs) with an ultrahigh theoretical energy density have attracted more and more attentions for their crucial applications of portable electronic devices, electric vehicles, and smart grids. However, the…

Materials Science · Physics 2024-10-22 Yanchen Fana , Xiang Chenb , Dominik Legut , Qianfan Zhang

The rise of flexible electronics calls for cost-effective and scalable batteries with good mechanical and electrochemical performance. In this work, we developed printable, polymer-based AgO-Zn batteries that feature flexibility,…

Key to advancing lithium-ion battery technology, and in particular fast charging capabilities, is our ability to follow and understand the dynamic processes occurring in operating materials under realistic conditions, in real time, and on…

Materials Science · Physics 2021-06-28 Alice J. Merryweather , Christoph Schnedermann , Quentin Jacquet , Clare P. Grey , Akshay Rao

Silicon offers great promise as a potential anode active material and the optimum alternative to lithium metal in all-solid-state lithium-ion batteries. However, its practical application is limited by severe volume expansion (~300%) during…

Physics-based electrochemical battery models derived from porous electrode theory are a very powerful tool for understanding lithium-ion batteries, as well as for improving their design and management. Different model fidelity, and thus…

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