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We review our recently developed electronic structure calculation methods used for the dynamics of large-scale solids or liquids with an efficient algorithm for large scale simultaneous linear equations. The electronic structure calculation…

Materials Science · Physics 2011-02-02 T. Fujiwara , S. Yamamoto , T. Hoshi , S. Nishino , H. Teng , T. Sogabe , S. -L. Zhang , M. Ikeda , M. Nakashima , N. Watanabe

We demonstrate that the capacitance of ionic-liquid filled supercapacitors is substantially increased by placing a diode-like structure on the separator membrane. We call the structured separator: gate, and demonstrate that the order of a…

Applied Physics · Physics 2019-07-09 Tazima S. Chowdhury , Haim Grebel

Lithium (Li) metal anodes are essential for developing next-generation high-energy-density batteries. However, Li dendrite/whisker formation caused short-circuiting issue and short cycle life have prevented lithium metal from being viably…

Materials Science · Physics 2022-05-02 Bingyu Lu , Wurigumula Bao , Weiliang Yao , Jean-Marie Doux , Chengcheng Fang , Ying Shirley Meng

Understanding degradation processes in lithium ion batteries is essential for improving long term performance and advancing sustainable energy technologies. Tin selenide (SnSe) has emerged as a promising anode material due to the high…

Liquid electrolytes in batteries are typically treated as macroscopically homogeneous ionic transport media despite having complex chemical composition and atomistic solvation structures, leaving a knowledge gap of microstructural…

The prospect of building a quantum information processor underlies many recent advances ion trap fabrication techniques. Potentially, a quantum computer could be constructed from a large array of interconnected ion traps. We report on a…

Thin film oxides are a source of endless fascination for the materials scientist. These materials are highly flexible, can be integrated into almost limitless combinations, and exhibit many useful functionalities for device applications.…

Materials Science · Physics 2025-06-17 Steven R. Spurgeon

Despite recent significant developments of Si composites, use of silicon with significance in the anodes for Li-ion batteries is still limited. In fact, nominal energy density is to be saturated around ~750 Wh/L regardless of cell-types…

Applied Physics · Physics 2017-12-29 K. Ogata , K. Takei , S. Saito , S. Wakita , M. Koh , SG. Doo , S. Han , S. Jeon

Sulfide solid state electrolytes are promising candidates to realize all solid state batteries due to their superior ionic conductivity and excellent ductility. However, their hypersensitivity to moisture requires processing environments…

Developing sustainable battery electrode manufacturing methods is particularly pressing for alloying-type active materials, such as silicon, which often require additional energy-intensive and solvent-based processing to reinforce them with…

Materials Science · Physics 2022-06-30 Moumita Rana , Afshin Pendashteh , Richard Schäufele , Joaquim Gispert , Juan J. Vilatela

High-concentration aqueous electrolytes have shown promise as candidates for a safer, lower-cost battery system. Ionic conductivity is a key property required in high performing electrolytes; the Advanced Electrolyte Model (AEM) has…

Nanostructured Si is the most promising high-capacity anode material to substantially increase the energy density of Li-ion batteries. Among the remaining challenges is its low rate capability as compared to conventional materials. To…

Disordered Systems and Neural Networks · Physics 2019-01-29 Nongnuch Artrith , Alexander Urban , Yan Wang , Gerbrand Ceder

As a new type of self-healing material, room-temperature liquid metal (LM) composed of Ga, In and Sn is a promising anode in lithium-ion batteries (LIBs). It is difficult to directly prepare an electrode slurry with pure LM. Here, the LM…

Applied Physics · Physics 2020-07-15 Yao Huang , Yibin Jiang , Haijuan Wang , Xunyong Jiang

Solid electrolytes (SEs) for sodium-based superionic conductors (NaSICON) are widely recognized for their excellent ionic conductivity and application in sodium based energy storage systems. While considerable effort has been made to…

Newly designed Li-ion battery cathode materials with high capacity and greater flexibility in chemical composition will be critical for the growing electric vehicles market. Cathode structures with cation disorder were once considered…

Scale-up of flow-electrode capacitive deionization is hindered due to the reliance on thick brittle graphite current collectors. Inspired by developments of electrochemical technologies we present the use of flexible membrane electrode…

Advancement of molecular devices will critically depend on the approach to establish electrical connections to the functional molecule(s). We produced a molecular device strategy which is based on chemically attaching of molecules between…

Materials Science · Physics 2019-12-04 Pawan Tyagi

Van der Waals (vdW) heterostructures have attracted intense interest worldwide as they offer several routes to design materials with novel features and wide-ranging applications. Unfortunately, at present, vdW heterostructures are…

Computational Physics · Physics 2024-05-14 Amreen Bano , Dan T Major

The development of silicon anodes to replace conventional graphite in efforts to increase energy densities of lithium-ion batteries has been largely impeded by poor interfacial stability against liquid electrolytes. Here, stable operation…

Sodium ion batteries (SIBs) are considered as an efficient alternative for lithium-ion batteries (LIBs) owing to the natural abundance and low cost of sodium than lithium. In this context, the anode materials play a vital role in…

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