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Related papers: Interfacial Effects on Solid Electrolyte Interphas…

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In this study, we address the challenge of electrolyte degradation in all-solid-state humidified Li-$O_2$ batteries, which offer high theoretical energy density and potential cost advantages over conventional lithium-ion batteries.…

It is widely believed that the origin of a significant cause for the voltage and capacity fading observed in lithium (Li)-ion batteries is related to structural modifications occurring in the cathode material during the Li-ion…

Effective passivation of lithium metal surfaces, and prevention of battery-shorting lithium dendrite growth, are critical for implementing lithium-metal-anodes for batteries with increased power densities. Nanoscale surface heterogeneities…

Materials Science · Physics 2017-10-03 Kevin Leung , Katherine L. Jungjohann

In solid-state batteries (SSBs), improving the physical contact at the electrode-electrolyte interface is essential for achieving better performance and durability. On the one hand, it is necessary to look for solid-state electrolytes…

Materials Science · Physics 2024-10-22 Qifan Yang , Jing Xu , Xiao Fu , Jingchen Lian , Liqi Wang , Xuhe Gong , Zibin Wang , Ruijuan Xiao , Hong Li

The interfacial structure plays a critical role in modern optoelectronics. Currently multilayer electrodes are used to optimize the injection and lifetime properties. The choice of interlayer is not universal, with different effects for the…

Materials Science · Physics 2012-08-02 Ayse Turak , Dan Grozea , Chanjun Huang , Zheng-Hong Lu

LiFePO4-based cathodes suffer from various degradation mechanisms which influences the battery performance. In this paper morphological and structural degradation phenomena in laboratory cathodes made of LiFePO4 (LFP) mixed with carbon…

Monolayer FeSe on SrTiO$_3$ superconducts with reported $T_\mathrm{c}$ as high as 100 K, but the dramatic interfacial $T_\mathrm{c}$ enhancement remains poorly understood. Oxygen vacancies in SrTiO$_3$ are known to enhance the interfacial…

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

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

Molecular-scale manipulation of electronic/ionic charge accumulation in materials is a preeminent challenge, particularly in electrochemical energy storage. Layered van der Waals (vdW) crystals exemplify a diverse family of materials that…

Lithium ion batteries (LIBs) work under sophisticated external force field and its electrochemical properties could be modulated by strain. Owing to the electro-mechanical coupling, the change of micro-local-structures can greatly affect…

Materials Science · Physics 2021-03-08 Gao Xu , Feng Hao , Mouyi Weng , Jiawang Hong , Feng Pan , Daining Fang

This paper is concerned with the analysis of effective thermomechanical properties of multi- layered materials of interest for solid oxide fuel cells (SOFC) and lithium ions batteries fabrication. The recently developed asymptotic…

Materials Science · Physics 2016-08-04 A. Bacigalupo , L. Morini , A. Piccolroaz

Achieving stable lithium metal anodes requires control over the solid-electrolyte interphase (SEI) and desolvation kinetics. Here, we develop a unified theoretical framework integrating ion transport, desolvation, charge transfer, and SEI…

Materials Science · Physics 2026-01-29 Jin Zhang , Peter W. Voorhees

Performing an analysis within density functional theory, we develop insight into the structural and electronic properties of the oxide heterostructure LaAlO3/SrTiO3. Electrostatic surface effects are decomposed from the internal lattice…

Materials Science · Physics 2015-05-13 U. Schwingenschloegl , C. Schuster

Revealing the dynamic structural evolution and lithium transport properties during the charge/discharge processes is crucial for optimizing graphite anodes in lithium-ion batteries, enabling high stability and fast-charging performance.…

Materials Science · Physics 2025-08-11 Liqi Wang , Xuhe Gong , Zicun Li , Ruijuan Xiao , Hong Li

The large - scale commercialization of promising lithium - sulfur (Li - S) batteries remains limited by the polysulfide shuttle effect, which causes rapid capacity fading and poor cycle life. In this study, we present a scalable strategy to…

Understanding and controlling coupled ionic-polaronic dynamics is crucial for optimizing electrochemical performance in battery materials. However, studying such coupled dynamics remains challenging due to the intricate interplay between…

Materials Science · Physics 2025-07-09 Fengyu Xie , Yuxiang Gao , Ruoyu Wang , Zhicheng Zhong

The integrated device of a perovskite solar cell with a Li-ion battery is an innovative solution for decentralized energy storage in smart electronic devices. In this study, we examine the stability of Li ions intercalated in a CsPbI$_3$…

Materials Science · Physics 2025-12-02 Wei Wei , Julian Gebhardt , Daniel F. Urban , Christian Elsässer

Silicon is a promising anode material for next-generation lithium-ion batteries due to its exceptionally high specific capacity (3600 mAh g$^{-1}$), significantly exceeding that of conventional graphite. However, its practical application…

Chemical Physics · Physics 2026-01-08 D Sugunan , Y Jiang , J Guo , H Wang , M Marinescu , G Offer

We formulate the continuum field equations and constitutive equations that govern deformation, stress, and electric current flow in a Li-ion half-cell. The model considers mass transport through the system, deformation and stress in the…

Computational Physics · Physics 2011-08-01 Allan F. Bower , Pradeep R. Guduru , Vijay A. Sethuraman