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Ether-based electrolytes exhibit excellent compatibility with Li metal anodes, but their instability at high voltages limits their use in high-voltage Li metal batteries. To address this issue, we introduce an alternative perfluorobutane…

Materials Science · Physics 2024-09-30 Jian He , Shihan Qi , Jianmin Ma , Nongnuch Artrith

Liquid metal batteries are possible candidates for large scale energy storage offering a possible breakthrough of intermittent wind and solar energy exploitations. The major concern over their practical implementation is the operation at…

Applied Physics · Physics 2018-02-20 V. Bojarevics , A. Tucs

Ionic liquid gating has been used to modify properties of layered transition metal dichalcogenides (TMDCs), including two-dimensional (2D) crystals of TMDCs used extensively recently in the device work, which has led to observations of…

Materials Science · Physics 2018-10-26 Yueshen Wu , Hailong Lian , Jiaming He , Jinyu Liu , Shun Wang , Hui Xing , Zhiqiang Mao , Ying Liu

Next-generation high-efficiency Li-ion batteries require an electrolyte that is both safe and thermally stable. A possible choice for high performance all-solid-state Li-ion batteries is a liquid crystal, which possesses properties…

This theoretical investigation delves into the structural, electronic, and electrochemical properties of two hexagonal iron-arsenide monolayers, 1T-FeAs and 1H-FeAs, focusing on their potential as anode materials for Lithium-ion batteries.…

Materials Science · Physics 2025-01-28 Ajay Kumar , Prakash Parida

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

In this work, we adopt first-principle calculations based on density functional theory and Kinetic Monte Carlo simulations to investigate the adsorption and diffusion of lithium in bilayer graphene (BLG) as anodes in lithium-ion batteries.…

Mesoscale and Nanoscale Physics · Physics 2019-04-10 Kehua Zhong , Ruina Hu , Guigui Xu , Yanmin Yang , Jian-Min Zhang , Zhigao Huang

Solid mixed conductors with significant ionic as well as electronic conduction play a pivotal role for mass transfer and storage as required in battery electrodes. Single-phase materials with simultaneously high electronic and ionic…

Mesoscale and Nanoscale Physics · Physics 2017-09-11 M. Kühne , F. Paolucci , J. Popovic , P. M. Ostrovsky , J. Maier , J. H. Smet

Understanding solid liquid interfaces at high spatial and chemical resolution is crucial for advancing electrochemical energy storage technologies, yet this remains a persistent challenge due to the lack of characterisation techniques that…

Lithium ion batteries have been a central part of consumer electronics for decades. More recently, they have also become critical components in the quickly arising technological fields of electric mobility and intermittent renewable energy…

Computational Physics · Physics 2021-11-15 Chiara Panosetti , Simon B. Anniés , Cristina Grosu , Stefan Seidlmayer , Christoph Scheurer

Solid polymer electrolytes hold significant promise as materials for next-generation batteries due to their superior safety performance, enhanced specific energy, and extended lifespans compared to liquid electrolytes. However, the…

Chemical Physics · Physics 2025-04-04 Zhenze Yang , Weike Ye , Xiangyun Lei , Daniel Schweigert , Ha-Kyung Kwon , Arash Khajeh

Cycle life is critically important in applications of rechargeable batteries, but lifetime prediction is mostly based on empirical trends, rather than mathematical models. In practical lithium-ion batteries, capacity fade occurs over…

Chemical Physics · Physics 2012-11-27 Matthew B. Pinson , Martin Z. Bazant

The solid electrolyte interphase (SEI) is regarded as the most complex but the least understood constituent in secondary batteries using liquid and solid electrolytes. The nanostructures of SEIs were recently reported to be equally…

Atomic and molecular layer deposition (ALD/MLD) coatings are promising solutions for preventing dendrite formation in aqueous and non-aqueous Li/Na/Zn metal batteries. Notably, alumina and alucone coatings have emerged as highly effective…

Materials Science · Physics 2024-11-08 Musanna Galib , Okan K. Orhan , Jian Liu , Mauricio Ponga

Solid electrolyte interphase (SEI), a thin layer that dynamically forms between active electrode and electrolyte during battery operation, critically governs the performance of rechargeable batteries1-5. An ideal SEI is expected to be…

Here, we describe a diversity-oriented synthetic strategy for microporous polymer membranes from which we identified those whose FVEs serve as solid solvation cages for lithium ions. Lead candidate membranes featuring such ion solvation…

Li-ion batteries contain excess anode area to improve manufacturability and prevent Li plating. These overhang areas in graphite electrodes are active but experience decreased Li+ flux during cycling. Over time, the overhang and the anode…

Lithium zirconium chlorides (LZCs) present a promising class of cost-effective solid electrolyte for next-generation all-solid-state batteries. The unique crystal structure of LZCs plays a crucial role in facilitating lithium-ion mobility,…

Materials Science · Physics 2025-10-09 Hanzeng Guo , Volodymyr Koverga , Selva Chandrasekaran Selvaraj , Anh T. Ngo

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…

Materials Science · Physics 2017-04-05 Kevin Leung , Joanne Budzien

The structure of lithium ion battery components, such as electrodes and separators, are commonly characterised in terms of their porosity and tortuosity. The ratio of these values gives the effective transport of lithium ions in the…

Applied Physics · Physics 2018-06-04 Marie Francine Lagadec , Raphael Zahn , Simon Müller , Vanessa Wood