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Van der Waals (vdW) heterostructures have attracted intense interest worldwide as they offer several routes to design materials with novel features and wide-ranging applications. Unfortunately, at present, vdW heterostructures are…

Computational Physics · Physics 2024-05-14 Amreen Bano , Dan T Major

This paper presents a novel diffuse-interface electrochemical model that simultaneously simulates the evolution of the metallic negative electrode and interfacial voids during the stripping and plating processes in solid-state batteries.…

Materials Science · Physics 2024-12-24 Sourav Chatterjee , Michael Tonks , William Gardner , Marina Sessim

Lithium metasilicate (Li2SiO3) has attracted considerable interest as a promising electrolyte material for potential use in lithium batteries. However, its electronic properties are still not thoroughly understood. In this work, density…

Computational Physics · Physics 2020-01-22 Nguyen Thi Han , Vo Khuong Dien , Ngoc Thanh Thuy Tran , Duy Khanh Nguyen , Wu-Pei Su , Ming-Fa Lin

Many key performance characteristics of carbon-based lithium-ion battery anodes are largely determined by the strength of binding between lithium (Li) and sp2 carbon (C), which can vary significantly with subtle changes in substrate…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Yuanyue Liu , Y. Morris Wang , Boris I. Yakobson , Brandon C. Wood

Solid polymer electrolytes for lithium batteries promise improvements in safety and energy density if their conductivity can be increased. Nanostructured block copolymer electrolytes specifically have the potential to provide both good…

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

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…

Next-generation high-energy-density batteries require ideally stable metal anodes, for which smooth metal deposits during battery recharging are considered a sign of interfacial stability that can ensure high efficiency and long cycle life.…

Materials Science · Physics 2022-01-11 Bingyuan Ma , Peng Bai

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

The lithium (Li) metal anode is essential for next generation high energy density rechargeable Li metal batteries. Although extensive studies have been performed to prolong the cycle life of Li metal batteries, the calendar life, which…

Materials Science · Physics 2022-04-26 Bingyu Lu , Weikang Li , Diyi Cheng , Miguel Ceja , Wurigumula Bao , Chengcheng Fang , Ying Shirley Meng

Understanding how practical lithium storage capacity varies with charge-discharge rate is crucial for designing durable anode free lithium batteries. We examine the lithiation behavior of single element metal electrodes-Al (alloying), Mg…

In lithium ion batteries, Li+ intercalation and processes associated with passivation of electrodes are governed by applied voltages, which are in turn associated with free energy changes of Li+ transfer (Delta G_t) between the solid and…

Materials Science · Physics 2013-12-11 Kevin Leung , Craig M. Tenney

The penetration of dendrites in ceramic lithium conductors severely constrains the development of solid-state batteries (SSBs) while its nanoscopic origin remain unelucidated. We develop an in-situ nanoscale electrochemical characterization…

Enhancing the ion conduction in solid electrolytes is critically important for the development of high-performance all-solid-state lithium-ion batteries (LIBs). Lithium thiophosphates are among the most promising solid electrolytes, as they…

Materials Science · Physics 2024-01-11 Zhimin Chen , Tao Du , N. M. Anoop Krishnan , Yuanzheng Yue , Morten M. Smedskjaer

Solid-ion conductors (SICs) comprising non-ionic plastic crystals and lithium salts often require compositing with polymers to render them processable for use in solid-state lithium-metal batteries. Here, we show that polymer-doped plastic…

Existence of van der Waals gaps renders two-dimensional (2D) materials ideal passages of lithium for being used as anode materials. However, the requirement of good conductivity significantly limits the choice of 2D candidates. So far only…

Materials Science · Physics 2022-06-13 Zheng Shu , Xiangyue Cui , Bowen Wang , Hejin Yan , Yongqing Cai

Uncontrollable dendrites growth during electrochemical cycles leads to low Coulombic efficiency and critical safety issues in Li metal batteries. Hence, a comprehensive understanding of the dendrite formation mechanism is essential for…

Solid-state electrolytes have the potential to stabilize lithium metal anodes, which hold the promise to increase the energy density of lithium-ion batteries. However, lithium metal dendrites that occur locally at the solid-solid interface…

Materials Science · Physics 2025-05-09 Rajeev Gopal , Peng Bai

Due to the rapid growth in the demand for high-energy-density Li batteries and insufficient global Li reserves, the anode-free Li metal batteries are receiving increasing attention. Various strategies, such as surface modification and…

Materials Science · Physics 2022-08-09 Genming Lai , Junyu Jiao , Chi Fang , Liyuan Sheng , Yao Jiang , Chuying Ouyang , Jiaxin Zheng

It is generally believed that silicon-based anodes for Li-ion batteries would benefit from stronger binders, as cyclic volume changes would not disrupt the cohesion of the composite electrode. Here, we put this belief to the proof by…