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As all-solid-state batteries (SSBs) develop as an alternative to traditional cells, a thorough theoretical understanding of driving forces behind battery operation is needed. We present a fully first-principles-informed model of potential…

Materials Science · Physics 2019-05-01 Michael W. Swift , Yue Qi

In this review, from crystallographic symmetry to amorphous local polyhedra arrangement and combinations, we examine inorganic solid state electrolytes through the lens of structure property relationships, with oxides, sulfides, and halides…

Materials Science · Physics 2026-04-21 Denys Butenko , Mustafa Khan , Liusuo Wu , Jinlong Zhu

The commercial realization of lithium-sulfur (Li-S) batteries is obstructed because of rapid capacity fading due to lithium polysulfides (LiPSs) dissolution into the electrolyte. In order to enhance the efficiency and performance of the…

Materials Science · Physics 2020-01-16 Rahul Jayan , Md Mahbubul Islam

A crucial ingredient in lithium (Li) and sodium (Na)-ion batteries (LIBs and NIBs) is the electrolytes. The use of Li-metal (Na-metal) as anode in liquid electrolyte LIBs (NIBs) is constrained by several issues including thermal runway and…

Materials Science · Physics 2022-12-14 Juefan Wang , Abhishek A. Panchal , Gopalakrishnan Sai Gautam , Pieremanuele Canepa

A full lithium-ion-sulfur cell with a remarkable cycle life was achieved by combining an environmentally sustainable biomass-derived sulfur-carbon cathode and a pre-lithiated silicon oxide anode. X-ray diffraction, Raman spectroscopy,…

The concept of green in a battery involves the chemical nature of electrodes and electrolytes as well as the economic sustainability of the cell. Although these aspects are typically discussed separately, they are deeply interconnected:…

Thin film solid state lithium-based batteries (TSSBs) are increasingly attractive for their intrinsic safety due to the use of a nonflammable solid electrolyte, cycling stability, and ability to be easily patterned in small form factors.…

Solid-state lithium batteries have attracted considerable attention due to their potential to provide improved safety and higher energy density compared with conventional liquid electrolyte batteries. However, the stability of the interface…

Materials Science · Physics 2026-04-14 Deobrat Singh , Li-Yun Tian , Moyses Araujo , Raquel Lizarraga

The incorporation of ceramics into polymers, forming solid composite electrolytes (SCEs) leads to enhanced electrical performance of all-solid-state lithium metal batteries. This is because the dispersed ceramics particles increase the…

Soft Condensed Matter · Physics 2024-09-25 Ao Cheng , Linlin Sun , Nicola Menga , Wanyou Yang , Xin Zhang

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.…

All solid state Li-ion batteries employing metallic lithium as an anode offer higher energy densities while also being safer than conventional liquid electrolyte based Li-ion batteries. However, the growth of tiny filaments of lithium…

Applied Physics · Physics 2020-01-20 Vikalp Raj , Varun R Kankanallu , Bibhatsu Kuiri , Naga Phani B Aetukuri

In recent years there has been a major interest in developing all solid state batteries, for the sake of safety (issues due to toxic and flammable organic liquid electrolytes are well known) as well as of high energy density…

Materials Science · Physics 2021-05-07 L. Cabras , V. Oancea , A. Salvadori

One challenge in developing the next generation of lithium-ion batteries is the replacement of organic electrolytes, which are flammable and most often contain toxic and thermally unstable lithium salts, with safer, environmentally friendly…

Statistical Mechanics · Physics 2018-08-21 Michael McEldrew , Zachary A. H. Goodwin , Alexei A. Kornyshev , Martin Z. Bazant

Due to the importance of using supercapacitors in electronic storage devices, improving their efficiency is one of the topics that has attracted the attention of many researchers. Choosing the proper electrolyte for supercapacitors is one…

Computational Physics · Physics 2023-01-04 Nasrin Eyvazi , Davood Abbaszadeh , Morad Biagooi , SeyedEhsan Nedaaee Oskoee

Density Functional Theory (DFT) calculations of electrode material properties in high energy density storage devices like lithium batteries have been standard practice for decades. In contrast, DFT modelling of explicit interfaces in…

Materials Science · Physics 2020-06-24 Kevin Leung

Polymer electrolytes incorporating Li$_{10}$GeP$_{2}$S$_{12}$ (LGPS) nanoparticles show promise for solid-state lithium batteries owing to their enhanced ionic conductivity, though the governing mechanisms remain unclear. We combine…

Li-Ion Solid-State Electrolytes (Li-SSEs) are a promising solution that resolves the critical issues of conventional Li-Ion Batteries (LIBs) such as poor ionic conductivity, interfacial instability, and dendrites growth. In this study, a…

Materials Science · Physics 2022-02-15 Seungpyo Kang , Minseon Kim , Kyoungmin Min

Among the 'beyond Li-ion' battery chemistries, nonaqueous Li-O$_2$ batteries have the highest theoretical specific energy and as a result have attracted significant research attention over the past decade. A critical scientific challenge…

Electrolyte reduction products form the solid-electrolyte interphase (SEI) on negative electrodes of lithium-ion batteries. Even though this process practically stabilizes the electrode-electrolyte interface, it results in continued…

Chemical Physics · Physics 2018-11-22 Birger Horstmann , Fabian Single , Arnulf Latz

All-solid-state batteries are seen as promising candidates to replace conventional batteries with liquid electrolytes in many applications. However, they are not yet feasible for many relevant applications. One particular question of…

Chemical Physics · Physics 2023-07-06 Stephan Sinzig , Thomas Hollweck , Christoph P. Schmidt , Wolfgang A. Wall