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Interfacial thermal transport between electrodes and polymer electrolytes can play a crucial role in the thermal management of solid-state lithium-ion batteries (SLIBs). Modifying the electrode surface with functional molecules can…

Mesoscale and Nanoscale Physics · Physics 2021-07-22 Siyu Tian , Dezhao Huang , Zhihao Xu , Shiwen Wu , Tengfei Luo , Guoping Xiong

Ionic conductors have great potential for interesting tunable physical properties via ionic liquid gating and novel energy storage applications such as all-solid-state lithium batteries. In particular, low migration barriers and high…

Materials Science · Physics 2024-12-12 Xin Chen , Xixiang Zhang , Jie-Xiang Yu , Jiadong Zang

LiBO$_{2}$ is an electronic insulator and a promising surface coating for stabilizing high-voltage cathodes in lithium-ion batteries. Despite its potential, the functional mechanisms of this coating remain unclear, particularly the…

Unlike Li-ion transport in the bulk of carbonaceous materials, little is known about Li-ion diffusion on their surface. In this study, we have discovered an ultra-fast Li-ion transport phenomenon on the surface of carbonaceous materials,…

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

The lithium transport mechanism in ternary polymer electrolytes, consisting of PEO/LiTFSI and various fractions of the ionic liquid N-methyl-N-propylpyrrolidinium bis(trifluoromethane)sulfonimide, are investigated by means of MD…

Soft Condensed Matter · Physics 2013-02-21 Diddo Diddens , Andreas Heuer

We report the ion transport mechanisms in succinonitrile (SN) loaded solid polymer electrolytes containing polyethylene oxide (PEO) and dissolved lithium bis(trifluoromethane)sulphonamide (LiTFSI) salt using molecular dynamics simulations.…

Solid-state lithium-ion batteries (SSLIBs) are considered to be the new generation of devices for energy storage due to better performance and safety. Poly (ethylene oxide) (PEO) based material becomes one of the best candidate of solid…

Applied Physics · Physics 2018-11-21 Han Meng , Xiaoxiang Yu , Hao Feng , Zhigang Xue , Nuo Yang

Lithium-intercalated layered transition-metal oxides, LixTMO2, brought about a paradigm change in rechargeable batteries in recent decades and show promise for use in memristors, a type of device for future neural computing and on-chip…

Materials Science · Physics 2021-05-31 Tianli Feng , Andrew O'Hara , Sokrates T. Pantelides

In ballistic transport, heat carriers such as phonons travel through the solid without any scattering or interaction. Therefore, there is no temperature gradient in the solid, which seems to transport the heat without getting heated itself.…

Mesoscale and Nanoscale Physics · Physics 2016-09-12 R. A. Pulavarthy , M. A. Haque

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

The ion conductivity of a solid-state ion conductor generally increases exponentially upon reduction in ion migration barrier. For prevalent cathode material LiCoO2, the room-temperature ion conductivity and migration barrier are…

Materials Science · Physics 2025-03-18 Xuechen Wang , Yaxin Gao , Menghao Wu

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…

Photogenerated carrier transport and recombination in metal halide perovskites are critical to device performance. Despite considerable efforts, sample quality issues and measurement techniques have limited the access to their intrinsic…

Lithium titanium oxide Li$_4$Ti$_5$O$_{12}$ (LTO) is an intriguing anode material promising particularly long lived batteries, due to its remarkable phase stability during (dis)charging of the cell. However, its usage is limited by its low…

Materials Science · Physics 2020-01-03 Matthias Kick , Cristina Grosu , Markus Schuderer , Christoph Scheurer , Harald Oberhofer

Lithium-ion transport is significantly retarded in ionic liquids (ILs). In this work, we performed extensive molecular dynamics (MD) simulations to mimic the kinetics of lithium ions in ILs using [\emph{N}-methyl-\emph{N}-propylpyrrolidium…

Computational Physics · Physics 2023-09-19 YeongKyu Lee , JunBeom Cho , Junseong Kim , Won Bo Lee , YongSeok Jho

Block-copolymer electrolytes with lamellar microstructure show promising results regarding the ion transport in experiments. Motivated by these observations we study block-copolymers consisting of a polystyrene (PS) block and a…

Soft Condensed Matter · Physics 2025-12-23 Len Kimms , Diddo Diddens , Andreas Heuer

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…

Amorphous polymers are known as thermal insulators, increasing their thermal conductivities have not been guided by fully understood physics. In this work, we use molecular dynamics simulations to study the thermal transport mechanism of…

Soft Condensed Matter · Physics 2019-04-03 Xingfei Wei , Tengfei Luo

The niobium oxide polymorph T-Nb2O5 has been extensively investigated in its bulk form especially for applications in fast-charging batteries and electrochemical (pseudo)capacitors. Its crystal structure that has two-dimensional (2D) layers…

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