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Solid ionic conductors are essential components of batteries and fuel cells. In many cases, ionic conduction through crystalline materials with substitutional disorder can be modeled with atomic-scale lattice model percolation simulations.…

Materials Science · Physics 2023-02-15 Alexander Urban

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 electronic properties of interfaces between two different solids can differ strikingly from those of the constituent materials. For instance, metallic conductivity, and even superconductivity, have been recently discovered at interfaces…

Materials Science · Physics 2009-11-13 H. Dias Alves , A. S. Molinari , H. Xie , A. F. Morpurgo

Ion-implantation of normally insulating polymers offers an alternative to depositing conjugated organics onto plastic films to make electronic circuits. We used a 50 keV nitrogen ion beam to mix a thin 10 nm Sn/Sb alloy film into the…

Superconductivity · Physics 2007-05-23 A. P. Micolich , E. Tavenner , B. J. Powell , A. R. Hamilton , M. T. Curry , R. E. Giedd , P. Meredith

The use of solid-state electrolytes to provide safer, next-generation rechargeable batteries is becoming more feasible as new materials with greater stability and higher ionic diffusion coefficients are designed. However, accurate…

Materials Science · Physics 2021-01-08 Ardeshir Baktash , James C. Reid , Tanglaw Roman , Debra J. Searles

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

All-solid-state lithium-ion batteries have renewed interest in high-performance solid electrolytes. Li3PS4 (Li2S-P2S5) glasses are among the most studied due to their high ionic conductivity, traditionally ascribed to rotational motion of…

Materials Science · Physics 2026-02-27 J. Pawelko , X. Rocquefelte , A. Tetenoire , D. Le Coq , L. Calvez , E. Furet

Polycrystalline solid-state ionic conductors (PolySSICs) are key energy materials for all-solid-state Li-ion batteries (LIBs). However, achieving room-temperature ionic conductivity comparable to that of liquid electrolytes ($\sigma \sim…

Mixed ionic-electronic conductors (MIECs) exhibit both high ionic and electronic conductivity to improve the battery performance. In this work, we investigate the mechanism and stability of transport channels in our recently developed MIEC…

Materials Science · Physics 2026-05-29 Selva Chandrasekaran Selvaraj , Daiwei Wang , Donghai Wang , Anh T. Ngo

We have performed a dielectric investigation of the ionic charge transport and the relaxation dynamics in plastic-crystalline 1-cyano-adamantane (CNA) and in two mixtures of CNA with the related plastic crystals adamantane or 2-adamantanon.…

Materials Science · Physics 2020-09-15 D. Reuter , K. Seitz , P. Lunkenheimer , A. Loidl

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

The lithium transport mechanism in ternary polymer electrolytes, consisting of PEO/LiTFSI and various fractions of the ionic liquid N-methyl-N-propylpyrrolidinium bis(trifluoromethane)sulfonimide, are investigated by means of MD…

Soft Condensed Matter · Physics 2013-02-21 Diddo Diddens , Andreas Heuer

The path toward Li-ion batteries with higher energy-densities will likely involve use of thin lithium metal (Li) anode (<50 $\mu$m in thickness), whose cyclability today remains limited by dendrite formation and low Coulombic efficiency.…

Solid-state batteries require electrolytes that sustain high ionic conductivity under the mechanical environment of a functioning cell. Lattice strain, arising from stack pressure, thermal cycling, or lattice mismatch at interfaces, can…

Materials Science · Physics 2026-05-08 Wei-Fan Huang , Jin Dai , Jiahui Pan , Mingjian Wen

In the quest of green energy, Solid Oxide Fuel Cells (SOFC) have drawn considerable attention for chemical-to-electric energy conversion. In the present paper, we report an enhancement of ionic conductivity in Cu2P2-xVxO7 by vanadium…

Doped organic semiconductors are critical to emerging device applications, including thermoelectrics, bioelectronics, and neuromorphic computing devices. It is commonly assumed that low conductivities in these materials result primarily…

Emerging superionic conductors Li3InCl6 (LIC) and Li6PS5Cl (LPSC) are very promising for solid-state electrolytes (SSEs) in all-solid-state lithium batteries (ASSLBs). However, unstable lithium-anode interfaces in LIC and LPSC have been…

Materials Science · Physics 2025-05-27 Cheng-Man Wang , Chao-Hsiang Hsu , Jing-Sen Yang , Ping-Chun Tsai

The intercalation of alkali ions into layered materials has played an essential role in battery technology since the development of the first lithium-ion electrodes. Coulomb repulsion between the intercalants leads to ordering of the…

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…

Ion transport through charged nanopores is commonly interpreted in terms of electrical double layer structure, leading to the expectation of cation-selective conduction in negatively charged pores. This picture can break down for…

Statistical Mechanics · Physics 2026-04-29 Salman Shabbir , Dezső Boda , Zoltán Ható