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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

Unlike Li-ion transport in the bulk of carbonaceous materials, little is known about Li-ion diffusion on their surface. In this study, we have discovered an ultra-fast Li-ion transport phenomenon on the surface of carbonaceous materials,…

Using uniaxial stress to tune Si:B through the metal-insulator transition we find the conductivity at low temperatures shows an excellent fit to scaling with temperature and stress on both sides of the transition. The scaling functions…

Strongly Correlated Electrons · Physics 2009-10-31 S. Bogdanovich , M. P. Sarachik , R. N. Bhatt

Understanding the performance of electrochemical energy storage systems requires probing the electrochemical properties at each layer and interface during cell operation. While traditional onboard and operando methods can measure impedance,…

Chemical Physics · Physics 2025-08-13 Divya Chalise , Sean D. Lubner , Sumanjeet Kaur , Venkat Srinivasan , Ravi S Prasher

In this paper we report a computational study of the effects of strain on the conductivity of Y-doped ceria (YDC). This material was chosen as it is of technological interest in the field of Solid Oxide Fuel Cells (SOFCs). The simulations…

Materials Science · Physics 2013-04-25 Mario Burbano , Dario Marrocchelli , Graeme W Watson

Design novel solid oxide electrolyte with enhanced ionic conductivity forms one of the Holy Grails in the field of materials science due to its great potential for wide range of energy applications. Conventional solid oxide electrolyte…

Lithium--sulfur (Li/S) batteries are regarded as one of the most promising energy storage devices beyond lithium-ion batteries because of their high energy density of 2600 Wh/kg and an affordable cost of sulfur. Meanwhile, some challenges…

The rapid charging and/or discharging of electrochemical cells can lead to localized depletion of electrolyte concentration. This depletion can significantly impact the system's time dependent resistance. For systems with porous electrodes,…

Chemical Physics · Physics 2017-12-27 James W. Palko , Ali Hemmatifar , Juan G. Santiago

Electrical generation and detection of pure spin currents without the need of magnetic materials are key elements for the realization of full electrically controlled spintronic devices. In this framework, achieving a large spin-to-charge…

Mesoscale and Nanoscale Physics · Physics 2017-11-23 Wenjing Yan , Edurne Sagasta , Mário Ribeiro , Yasuhiro Niimi , Luis E. Hueso , Fèlix Casanova

Emergent electromagnetic induction based on electrodynamics of noncollinear spin states may enable dramatic miniaturization of inductor elements widely used in electric circuits, yet many issues are to be solved toward application. One such…

Strongly Correlated Electrons · Physics 2021-09-03 Aki Kitaori , Naoya Kanazawa , Tomoyuki Yokouchi , Fumitaka Kagawa , Naoto Nagaosa , Yoshinori Tokura

This work introduces a framework for simulating the electrical power consumption of an 8-seater electric aircraft equipped with high-energy-density NMC Lithium-ion cells. We propose an equivalent circuit model (ECM) to capture the thermal…

Systems and Control · Electrical Eng. & Systems 2024-08-30 Thomas Kuijpers , Jorn van Kampen , Theo Hofman

The electronic and transport properties of (10, 0) single-walled carbon nanotube are studied by performing the first-principles calculations and semi-classical Boltzmann theory. It is found that the (10, 0) tube exhibits considerably large…

Mesoscale and Nanoscale Physics · Physics 2016-01-06 P. H. Jiang , H. J. Liu , D. D. Fan , L. Cheng , J. Wei , J. Zhang , J. H. Liang , J. Shi

Thick Li-ion battery electrodes with high ion transport rates could enable batteries that cost less and that have higher gravimetric and volumetric energy density, because they require fewer inactive cell-components. Finding ways to…

Materials Science · Physics 2015-05-14 V. Pavan Nemani , Stephen J. Harris , Kyle C. Smith

We present a coupled continuum formulation for the electrostatic, chemical, thermal, mechanical and fluid physics in battery materials. Our treatment is at the particle scale, at which the active particles held together by carbon-binders,…

Computational Physics · Physics 2018-07-26 Zhenlin Wang , Krishna Garikipati

Distributions of potential and lithium content inside lithium ion batteries highly affects their performance and durability. An increased heterogeneity of the lithium distribution is expected in thick electrodes with high energy densities…

Recent reports of superconductivity in the vicinity of room temperature have been the subject of discussion by the community. Specifically, features in the resistance-temperature (R-T) relations have raised questions. We show that many of…

Superconductivity · Physics 2024-04-02 Alexander C. Mark , Russell J. Hemley

Strontium titanate is a classic quantum paraelectric oxide material that has been widely studied in bulk and thin films. It exhibits a well-known cubic-to-tetragonal antiferrodistortive phase transition at 105 K, characterized by the…

Deep eutectic solvents with admixed lithium salts are considered as electrolytes in electrochemical devices like batteries or supercapacitors. Compared to eutectic mixtures of hydrogen-bond donors and lithium salts, their raw-material costs…

Soft Condensed Matter · Physics 2024-04-22 A. Schulz , P. Lunkenheimer , A. Loidl

We present theoretical and experimental studies of superconductivity and low temperature structural phase boundaries in lithium. We mapped the structural phase diagram of 6Li and 7Li under hydrostatic conditions between 5 top 55GPa and…

Solid-state electrolytes with argyrodite structures, such as $\mathrm{Li_6PS_5Cl}$, have attracted considerable attention due to their superior safety compared to liquid electrolytes and higher ionic conductivity than other solid…

Materials Science · Physics 2023-10-31 Jiho Lee , Suyeon Ju , Seungwoo Hwang , Jinmu You , Jisu Jung , Youngho Kang , Seungwu Han
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