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We present a high-throughput computational screening for fast lithium-ion conductors to identify promising materials for application in all solid-state electrolytes. Starting from more than 30,000 Li-containing experimental structures…

Materials Science · Physics 2026-01-07 Tushar Singh Thakur , Loris Ercole , Nicola Marzari

This work reports on the experimental investigation of the wide band gap compounds LiMgZ (Z = P, As, Sb), which are promising candidates for opto-electronics and anode materials for Lithium batteries. The compounds crystallize in the cubic…

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…

This paper proposes the linearized physics-based model of a lithium-ion battery that can be incorporated into the optimization framework for power system economic studies. The proposed model is a linear approximation of the single particle…

Systems and Control · Electrical Eng. & Systems 2022-07-08 Anton V. Vykhodtsev , Darren Jang , Qianpu Wang , William Rosehart , Hamidreza Zareipour

Solid-state lithium batteries possess numerous advantages, such as high energy density, excellent cycle stability, superior mechanical strength, non-flammability, enhanced safety, and extended service life. These characteristics make them…

Materials Science · Physics 2025-09-03 Pengyang Hou , Jiamiao Xie , Jingyang Li , Peng Zhang , Zhaokai Li , Wenqian Hao , Jia Tian , Zhe Wang , Fuzheng Li

Density-functional-theory (DFT) calculations have been performed on the Li-Si and Li-Ge systems. Lithiated Si and Ge, including their metastable phases, play an important technological r\^ole as Li-ion battery (LIB) anodes. The calculations…

Materials Science · Physics 2015-06-18 Andrew J. Morris , C. P. Grey , C. J Pickard

Ferroelectrics have shown potential as a promising alternative material for future photovoltaic applications. Observance of high open circuit voltages in ferroelectric thin films, have generated considerable interest in the field of…

Materials Science · Physics 2013-04-08 Harshan Vasudevan Nampoori

Zinc-ion batteries are promising alternatives to lithium-ion batteries, offering advantages in safety, cost, and environmental impact. However, their performance is often limited by the functioning of the zinc anode. This study employs…

Materials Science · Physics 2025-03-31 Xinxin Hu , Shivam Dangwal , Xucheng Wang , Fan Zhang , Haijuan Kong , Jun Li , Kaveh Edalati

We report a neutral salt water based battery which uses p-type and n-type solution processed polymer films as the cathode and the anode of the cell. The specific capacity of the electrodes (approximately 30 mAh cm-3) is achieved via…

A Li-conversion alpha-Fe2O3@C nanocomposite anode and a high-voltage LiNi0.5Mn1.5O4 cathode are synthesized in parallel, characterized, and combined in a Li-ion battery. alpha-Fe2O3@C is prepared via annealing of maghemite iron oxide and…

Chemical Physics · Physics 2021-10-27 Shuangying Wei , Daniele Di Lecce , Riccardo Messini D'Agostini , Jusef Hassoun

Cycling efficiency and rate capability of porous copper-coated, amorphous silicon thin-film negative electrodes are compared to equivalent silicon thin-film electrodes in lithium-ion batteries. The presence of a copper layer coated on the…

Materials Science · Physics 2011-08-02 Vijay A. Sethuraman , Kristin Kowolik , Venkat Srinivasan

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

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…

Fluid Dynamics · Physics 2018-08-29 A. Tucs , V. Bojarevics , K. Pericleous

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

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

The morphologies of crystalline lithium peroxide (Li2O2) discharge products in Li-O2 batteries have been shown to exhibit a dependency on subtle variations within the battery cell-operating environment including exposure to ambient air,…

Materials Science · Physics 2016-06-22 Hariharan Katharajan , Kumar Virwani , A. David Erpelding , Jeannette M. Garcia

The Li-Air battery is a very promising candidate for powering future mobility, but finding a suitable electrolyte solvent for this technology turned out to be a major problem. We present a systematic computational investigation of the known…

Chemical Physics · Physics 2015-10-28 Tamara Husch , Martin Korth

Lithium metal batteries (LMB) are vital devices for high-energy-density energy storage, but Li metal anode is highly reactive with electrolyte and forms uncontrolled dendrite that can cause undesirable parasitic reactions thus poor cycling…

Micro-solid oxide fuel cells based on thin films have strong potential for use in portable power devices. However, devices based on silicon substrates typically involve thin-film metallic electrodes which are unstable at high temperatures.…

The solid electrolyte interphase (SEI) is regarded as the most complex but the least understood constituent in secondary batteries using liquid and solid electrolytes. The nanostructures of SEIs were recently reported to be equally…

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