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Accurate prediction of ionic conductivity is critical for the design of high-performance solid-state electrolytes in next-generation batteries. We benchmark molecular dynamics (MD) approaches for computing ionic conductivity in 21 lithium…

We have performed a thorough examination of the reorientational relaxation dynamics and the ionic charge transport of three typical deep eutectic solvents, ethaline, glyceline and reline by broadband dielectric spectroscopy. Our experiments…

Soft Condensed Matter · Physics 2019-03-28 D. Reuter , C. Binder , P. Lunkenheimer , A. Loidl

Crystalline materials at elevated temperatures and pressures can exhibit properties more reminiscent of simple liquids than ideal crystalline materials. Superionic crystalline materials having a liquid-like conductivity {\sigma} are…

Materials Science · Physics 2019-05-22 Hao Zhang , Xinyi Wang , Alexandros Chremos , Jack F. Douglas

The high ionic conducting sodium superionic conductor Na3Zr2Si2PO12 -NaI composites have been prepared successfully via solid state reaction route. As the NaI content increases, the ionic conductivity significantly changes. The composites…

Materials Science · Physics 2024-05-07 Aditya Sekhar , Nikesh Lilani , M. Dinachandra Singh

We present a computational screening of experimental structural repositories for fast Li-ion conductors, with the goal of finding new candidate materials for application as solid-state electrolytes in next-generation batteries. We start…

Materials Science · Physics 2021-06-10 Leonid Kahle , Aris Marcolongo , Nicola Marzari

We study experimentally and theoretically, the reorganization of superconducting vortices driven by oscillatory forces near the plastic depinning transition. We show that the system can be taken to configurations that are tagged by the…

Superconductivity · Physics 2011-08-01 D. Pérez Daroca , G. Pasquini , G. S. Lozano , V. Bekeris

We investigate the dynamics of water confined in soft ionic nano-assemblies, an issue critical for a general understanding of the multi-scale structure-function interplay in advanced materials. We focus in particular on hydrated…

Materials Science · Physics 2017-08-23 Quentin Berrod , Samuel Hanot , Armel Guillermo , Stefano Mossa , Sandrine Lyonnard

Molecular polaritons, hybrid light-matter states formed from the strong coupling of molecular transitions and discrete photonic modes, are a compelling platform for optical control of chemical reactivity. Despite the origins of the field of…

Chemical Physics · Physics 2026-02-11 Jane C. Nelson , Trevor H. Wright , Neo Lin , Madeline Rohde , Marissa L. Weichman

All-solid-state batteries using sodium are promising candidates for next-generation rechargeable batteries due to the limited lithium resources. A practical sodium battery requires an electrolyte with high conductivity. Cubic Na$_3$PS$_4$…

Solid-state ion conductors (SSICs) have emerged as a promising material class for electrochemical storage devices and novel compounds of this kind are continuously being discovered. High-throughout approaches that enable a rapid screening…

Incorporation of guest additives within inorganic single crystals offers a unique strategy for creating nanocomposites with tailored properties. While anionic additives have been widely used to control the properties of crystals, their…

The existing solid electrolytes for lithium ion batteries suffer from low total ionic conductivity, which restricts its usefulness for the lithium-ion battery technology. Among them, the NASICON-based materials, such as…

Chemical Physics · Physics 2020-08-03 K. Kwatek , W. Ślubowska , J. Trébosc , O. Lafon , J. L. Nowiński

Electronic conductivity in organic materials is well-established. Both semiconductive and metallic behavior is observed in (quasi) 0-, 1-, 2- and 3-dimensional carbon-based materials and is applied in a wide range of commercial devices.…

The fundamental understanding of intermolecular interactions of ionic liquids with water represents a vital extent in predicting ionic liquid properties. Intermolecular or noncovalent interactions were studied for 1,3-dimethyl imidazolium…

Chemical Physics · Physics 2022-06-14 Oleg N. Starovoytov

Dendrite formation during electrodeposition while charging lithium metal batteries compromises their safety. While high shear modulus solid-ion conductors (SICs) have been prioritized to resolve pressure-driven instabilities that lead to…

Solid-state ionic conduction is a key enabler of electrochemical energy storage and conversion. The mechanistic connections between material processing, defect chemistry, transport dynamics, and practical performance are of considerable…

Materials Science · Physics 2022-08-04 Andrey D. Poletayev , James A. Dawson , M. Saiful Islam , Aaron M. Lindenberg

Generating efficient and highly spin-polarized currents through nanoscale junctions is essential in the field of nanoelectronics and spintronics. In this paper, using $ab$ $initio$ electron transport calculations, we predict highly…

Mesoscale and Nanoscale Physics · Physics 2019-05-30 Dongzhe Li

The unique properties of plastic crystals highlight their potential for use in solid-state refrigeration. However, their practical applications are limited by thermal hysteresis due to low thermal conductivity. In this study, the effect of…

Materials Science · Physics 2025-01-22 Yangjun Qin , Zhicheng Zong , Junwei Che , Tianhao Li , Haisheng Fang , Nuo Yang

Non-volatile resistive switching is demonstrated in memristors with nanocrystalline molybdenum disulfide (MoS$_2$) as the active material. The vertical heterostructures consist of silicon, vertically aligned MoS$_2$ and chrome / gold metal…

Coupled ionic and electronic transport underpins processes as diverse as electrochemical energy conversion, biological signaling, and soft adaptive electronics. Yet, how chemical environments such as pH modulate this coupling at the…

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