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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…

Solid electrolytes are considered a potentially enabling component in rechargeable batteries that use lithium metal as the negative electrode, and thereby can safely access higher energy density than available with today's lithium ion…

The solid-state electrolyte is critical for achieving next-generation high energy density and high-safety batteries. Solid polymer electrolytes (SPEs) possess great potential for commercial application owing to their compatibility with the…

Materials Science · Physics 2023-07-04 Xiong Xiong Liu , Shengfa Feng , Pengcheng Yuan , Yaping Wang , Long Pan , ZhengMing Sun

Emerging superionic conductors Li3InCl6 (LIC) and Li6PS5Cl (LPSC) are very promising for solid-state electrolytes (SSEs) in all-solid-state lithium batteries (ASSLBs). However, unstable lithium-anode interfaces in LIC and LPSC have been…

Materials Science · Physics 2025-05-27 Cheng-Man Wang , Chao-Hsiang Hsu , Jing-Sen Yang , Ping-Chun Tsai

Silicon anodes offer high energy densities for next-generation lithium-ion batteries; however, their application is limited by severe volume expansion during cycling. Making silicon porous or nanostructured mitigates this expansion but…

All-solid-state batteries (ASSBs) offer a promising route to safer batteries with superior energy density compared to conventional Li-ion batteries (LIBs). However, the design of the composite cathode and optimization of the underlying…

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

Solid-state electrolytes are essential in the development of all-solid-state batteries. While density functional theory (DFT)-based nudged elastic band (NEB) and ab initio molecular dynamics (AIMD) methods provide fundamental insights on…

Materials Science · Physics 2025-07-04 Jingchen Lian , Xiao Fu , Xuhe Gong , Ruijuan Xiao , Hong Li

Interfacial deposition stability between Li metal and a solid electrolyte (SE) is important in preventing interfacial contact loss, mechanical fracture, and dendrite growth in Li-metal solid-state batteries (SSB). In this work, we…

Applied Physics · Physics 2020-06-08 Qingsong Tu , Luis Barroso-Luque , Tan Shi , Gerbrand Ceder

Silicon is a promising candidate for negative electrodes due to its high theoretical specific capacity (~3579 mAh g-1) and low lithiation potential (~0.40 V vs Li). However, its practical applications in battery have been inhibited by the…

The practical implementation of lithium-metal anodes has been hindered by uncontrollable dendrite formation and interfacial instability. This study presents a defect-engineering approach of a chemically stable and electrically insulating…

In nanoparticulate phase-separating electrodes, phase separation inside the particles can be hindered during their charge/discharge cycles even when a thermodynamic driving force for phase separation exists. In such cases, particles may…

Materials Science · Physics 2013-09-26 Bernardo Orvananos , Todd R. Ferguson , Hui-Chia Yu , Martin Z. Bazant , Katsuyo Thornton

Sodium ion batteries (SIBs) are considered as an efficient alternative for lithium-ion batteries (LIBs) owing to the natural abundance and low cost of sodium than lithium. In this context, the anode materials play a vital role in…

Rational design and cost-effective fabrication of layered double hydroxides (LDHs) nanosheets with extraordinary electrochemical performance is a key challenge for hybrid supercapacitors (HSCs). Herein, we report a facile in situ growth…

Applied Physics · Physics 2024-03-26 Yuchen Wang , Yaoyu Liu , Zuo Chen , Man Zhang , Biying Liu , Zhenhao Xu , Kai Yan

The performance of modern lithium-sulfur (Li/S) battery systems critically depends on the electrolyte and solvent compositions. For fundamental molecular insights and rational guidance of experimental developments, efficient and…

As one of the most promising next-generation energy storage device, lithium metal batteries have been extensively investigated. However, the poor safety issue and undesired lithium dendrites growth hinder the development of lithium metal…

Lithium-sulfur technology garners significant interest due to sulfur's higher specific capacity, cost-effectiveness, and environmentally friendly aspects. However, sulfur's insulating nature and poor cycle life hinder practical application.…

Materials Science · Physics 2024-09-06 Mariam Ezzedine , Fatme Jardali , Ileana Florea , Costel-Sorin Cojocaru

All-solid-state Li-ion batteries promise safer electrochemical energy storage with larger volumetric and gravimetric energy densities. A major concern is the limited electrochemical stability of solid electrolytes and related detrimental…

The quest for safe high-energy batteries with "5V-class" cathodes and lithium metal anodes drives research into solid electrolytes. However, reasons for the large charge transfer resistances -- the major bottleneck of all-solid-state…

Chemical Physics · Physics 2021-01-26 Katharina Becker-Steinberger , Simon Schardt , Birger Horstmann , Arnulf Latz

Rechargeable battery electrodes have highly complex microstructures, consisting of nonuniform electrode particles, tortuous electrolyte channels, and irregular particle-electrolyte interfaces. Moreover, the electrochemical processes involve…

Materials Science · Physics 2026-03-26 Hui-Chia Yu , Bernardo Orvananos , Scott Cronin , Martin Bazant , Scott Barnett , K. Thornton