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Solid polymer electrolytes (SPEs) based on cross-linked poly(ethylene oxide) (PEO) encompassing lithium salts have gained significant attention as separators in solid-state lithium metal batteries. Here, we employ terahertz time-domain…

Lithium thiophosphates (LPS) with the composition (Li$_2$S)$_x$(P$_2$S$_5$)$_{1-x}$ are among the most promising prospective electrolyte materials for solid-state batteries (SSBs), owing to their superionic conductivity at room temperature…

Materials Science · Physics 2022-01-28 Haoyue Guo , Qian Wang , Alexander Urban , Nongnuch Artrith

Polycrystalline solid-state ionic conductors (PolySSICs) are key energy materials for all-solid-state Li-ion batteries (LIBs). However, achieving room-temperature ionic conductivity comparable to that of liquid electrolytes ($\sigma \sim…

Polymer electrolytes are critical for safe, high-energy-density solid-state batteries, yet discovering candidates that balance high ionic conductivity with high transference numbers remains a significant challenge. In this work, we develop…

Materials Science · Physics 2026-02-20 Antonia S. Kuhn , Jurğis Ruža , KyuJung Jun , Pablo Leon , Rafael Gómez-Bombarelli

The author reports an experimental study of electrical and thermal transport in reduced graphene oxide (RGO)/polystyrene (PS) composites. The electrical conductivity ($\sigma$) of RGO/PS composites with different RGO concentrations at room…

Materials Science · Physics 2017-02-28 Wonjun Park , Jiuning Hu , Luis A. Jauregui , Xiulin Ruan , Yong P. Chen

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…

Solid-state electrolytes for Li-ion batteries are attracting growing interest as they allow building safer batteries, also using lithium metal anodes. Here we studied a compound in the lithium superionic conductor (LISICON) family, i.e.…

Materials Science · Physics 2020-10-07 E. Gilardi , G. Materzanini , L. Kahle , M. Doebeli , S. Lacey , X. Cheng , N. Marzari , D. Pergolesi , A. Hintennach , T. Lippert

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

Materials exhibiting topological order host exotic phenomena that could form the basis for novel developments in areas ranging from low-power electronics to quantum computers. The past decade has witnessed multiple experimental realizations…

Materials Science · Physics 2019-10-23 Bo Peng , Ivona Bravić , Judith L. MacManus-Driscoll , Bartomeu Monserrat

A set of uniform carbon microspheres (CS) whose diameters have the order of $ 0.125 \mu m$ to $10 \mu m $ was prepared from aqueous sucrose solution by means of hydrothermal carbonization of sugar molecules. A pressed pellet was composed by…

Mesoscale and Nanoscale Physics · Physics 2016-11-29 Cesar A. Nieves , Idalia Ramos , Nicholas J. Pinto , Natalya A. Zimbovskaya

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

We present an extensive molecular dynamics (MD) simulation study of the lithium ion transport in ternary polymer electrolytes consisting of poly(ethylene oxide) (PEO), lithium-bis(trifluoromethane)sulfonimide (LiTFSI) and the ionic liquid…

Soft Condensed Matter · Physics 2013-10-03 Diddo Diddens , Andreas Heuer

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

Polymer electrolytes are intensely investigated for use as solid electrolytes in next generation lithium-ion and lithium-metal batteries. However, little is known about the structural and dynamical properties of polymer electrolytes close…

Soft Condensed Matter · Physics 2021-12-02 Andreas Thum , Diddo Diddens , Andreas Heuer

We investigate the thermal conductivity of plumbene using molecular dynamics simulations, overcoming existing limitations by optimizing the parameters of Tersoff and Stillinger-Weber potentials via artificial neural networks. Our findings…

Materials Science · Physics 2023-11-20 Rafat Mohammadi , Behrad Karimi , John Kieffer , Daniel Hashemi

Recently, some reports show that the ultra-low thermal conductivity of bulk polymers can be enhanced along one direction, which limits its applications. Here, we proposed paved crosswise laminate methods which can enhance the thermal…

Materials Science · Physics 2021-01-13 Xiaoxiang Yu , Chengcheng Deng , Xiaoming Huang , Nuo Yang

The properties of the mixed system LiBH4 LiCl P2S5 are studied with respect to all-solid-state batteries. The studied material undergoes an amorphization upon heating above 601C, accompanied with increased Li+ conductivity beneficial for…

The present paper report is focused toward the preparation of the flexible and freestanding blend solid polymer electrolyte films based on PEO-PVP complexed with NaPF6 by solution cast technique. The structural/morphological features of the…

Materials Science · Physics 2018-07-12 Anil Arya , A. L. Sharma*

We study the segmental dynamics of poly(ethylene oxide) (PEO) from microscopic simulations in the neat polymer and a polymer electrolyte (PEO/LiBF$_4$) by analyzing the normal modes. We verify the applicability of the Rouse theory,…

Soft Condensed Matter · Physics 2008-04-15 Arijit Maitra , Andreas Heuer

Accurate and reliable state of charge (SoC) estimation becomes increasingly important to provide a stable and efficient environment for Lithium-ion batteries (LiBs) powered devices. Most data-driven SoC models are built for a fixed ambient…

Machine Learning · Computer Science 2021-01-12 Yan Qin , Stefan Adams , Chau Yuen