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Amorphous solid-state electrolytes (SSEs) offer unique advantages for next-generation batteries, but their rational design is hindered by an unclear structure-property relationship. This study establishes universal design principles through…

材料科学 · 物理学 2026-02-24 Qifan Yang , Xiao Fu , Xuhe Gong , Jingchen Lian , Liqi Wang , Ruijuan Xiao , Yong-Sheng Hu , Hong Li

First-principles calculations of charged defects have become a cornerstone of research in semiconductors and insulators by providing insights into their fundamental physical properties. But current standard approach using the so-called…

材料科学 · 物理学 2020-04-22 Jin Xiao , Kaike Yang , Dan Guo , Tao Shen , Jun-Wei Luo , Shu-Shen Li , Su-Huai Wei , Hui-Xiong Deng

Lithium-Sulfur batteries (LSBs) are believed to have a high potential for aerospace applications due to their high gravimetric energy density. However, despite decades of research and advances, they still suffer from poor rate capability…

计算物理 · 物理学 2026-05-19 Max Okraschevski , Torben Prill , Paul Maidl , Arnulf Latz , Timo Danner

Surfaces of ionic solids interacting with an ionic solution can build up charge by exchange of ions. The surface charge is compensated by a strip of excess charge at the border of the electrolyte forming an electric double layer. These…

化学物理 · 物理学 2016-12-21 Chao Zhang , Michiel Sprik

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…

化学物理 · 物理学 2024-04-23 Franziska Kilchert , Max Schammer , Arnulf Latz , Birger Horstmann

Battery degradation, which is the reduction of performance over time, is one of the main roadblocks to the wide deployment of lithium-ion batteries. Physics-based models, such as those based on the Doyle-Fuller-Newman model, are invaluable…

化学物理 · 物理学 2023-06-06 Ferran Brosa Planella , W. Dhammika Widanage

The most promising solid electrolytes for all-solid-state Li batteries are oxide and sulfide ceramics. Current ceramic solid electrolytes are brittle and lack the toughness to withstand the mechanical stresses of repeated charge and…

In this work, we present a computational framework for coupled electro-chemo-(nonlinear) mechanics at the particle scale for solid-state batteries. The framework accounts for interfacial fracture between the active particles and solid…

Higher energy density and longer lifetime are the requirements for next-generation lithium-ion batteries. A promising anode material is silicon, which offers high specific capacity, but its significant volume change during lithiation and…

Liquid metal batteries (LMBs) are a promising alternative for large-scale stationary energy storage for renewable applications. Using high-abundance electrode materials such as Sodium and Zinc is highly desirable due to their low cost and…

In electrochemical systems, the structure of electrical double layers (EDLs) near electrode surfaces is crucial for energy conversion and storage functions. While the electrodes in real-world systems are usually heterogeneous, to date the…

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…

We present a coupled continuum formulation for the electrostatic, chemical, thermal, mechanical and fluid physics in battery materials. Our treatment is at the particle scale, at which the active particles held together by carbon-binders,…

计算物理 · 物理学 2018-07-26 Zhenlin Wang , Krishna Garikipati

Manipulating the shape of nanoscale objects in a controllable fashion is at the heart of designing materials that act as building blocks for self-assembly or serve as targeted drug delivery carriers. Inducing shape deformations by…

软凝聚态物质 · 物理学 2014-09-15 Vikram Jadhao , Creighton K. Thomas , Monica Olvera de la Cruz

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…

材料科学 · 物理学 2016-08-04 A. Bacigalupo , L. Morini , A. Piccolroaz

The recent geopolitical crisis resulted in a gas price surge. Although lithium-ion batteries represent the best available rechargeable battery technology, a significant energy and power density gap exists between LIBs and petrol/gasoline.…

计算工程、金融与科学 · 计算机科学 2023-09-06 Dibakar Datta

The aim of this paper is to develop a stability theory and a numerical model for the three density-stratified electrically conductive liquid layers. Using regular perturbation methods to reduce the full 3d problem to the shallow layer…

流体动力学 · 物理学 2018-08-29 A. Tucs , V. Bojarevics , K. Pericleous

As an anode material for lithium-ion batteries, amorphous silicon offers a significantly higher energy density than the graphite anodes currently used. Alloying reactions of lithium and silicon, however, induce large deformation and lead to…

Zinc-air batteries offer large specific energy densities, while relying on abundant and non-toxic materials. In this paper, we present the first multi-dimensional simulations of zinc-air batteries. We refine our existing theory-based model…

化学物理 · 物理学 2019-06-25 Tobias Schmitt , Tobias Arlt , Ingo Manke , Arnulf Latz , Birger Horstmann

In-orbit satellite REIMEI, developed by the Japan Aerospace Exploration Agency, has been relying on off-the-shelf Li-ion batteries since its launch in 2005. The performance and durability of Li-ion batteries is impacted by various…