相关论文: Superior thermal conductivity of poly (ethylene ox…
The PEO3:LiCF3SO3 polymer electrolyte has attracted significant research due to its enhanced stability at the lithium/polymer interface of high conductivity polymer batteries. Experimental studies have shown that, depending on the…
We report results of a detailed experimental investigation into the drying of sessile droplets of aqueous poly(ethylene oxide) (PEO) polymer solutions under various experimental conditions. Samples are prepared with a range of initial…
We propose an efficient scheme, which combines density functional theory (DFT) with deep potentials (DP), to systematically study the convergence issues of the computed electronic thermal conductivity of warm dense Al (2.7 g/cm$^3$,…
The conductivity and stability of specially treated PEDOT:PSS thin films are investigated. Based on the proposed treatment method, ITO-free PTB7:PC71BM organic solar cells are fabricated and the electrical properties of the cells are…
The temperature dependence of conductivity of partially dehydrochlorinated PVC films, containing in their macromolecules chains of polyene-conjugated bonds (PCB) and representing copolymer PVC-Polyacetylene. In samples with excess of some…
Present paper reports, the structural, microstructural, electrical, dielectric properties and ion dynamics of a sodium based solid polymer electrolyte films comprising of PEO8-NaPF6+ x wt. % SN. The structural and surface morphology…
The incorporation of ceramics into polymers, forming solid composite electrolytes (SCEs) leads to enhanced electrical performance of all-solid-state lithium metal batteries. This is because the dispersed ceramics particles increase the…
Monolayer molybdenum trioxide (MoO$_3$) is an emerging two-dimensional (2D) material with high electrical conductivity. Using first-principles calculations and a Boltzmann transport theoretical framework, we predict record low…
Plasma electrolytic oxidation (PEO) is a technique used to create oxide-ceramic coatings on lightweight metals, such as aluminium, magnesium, and titanium. PEO is known for producing coatings with high corrosion resistance and strong…
Combining high-throughput first-principles calculations and experimental measurements, we have identified a novel family of fast lithium-ion chalcogenide conductors in Li$_2$BMQ$_4$ (2114, B = Ca, Sr and Ba; M = Si, Ge and Sn; Q = O, S and…
Solid-state electrolytes (SSE) with high ion conductivity are pivotal for the development and large-scale adoption of green-energy conversion and storage technologies such as fuel cells, electrocatalysts and solid-state batteries. Yet, SSE…
The nanoparticle packed bed (NPB) as a kind of promising thermal insulation materials has drawn widely concern because of their quite low thermal conductivities (k). In this paper, based on the concept that NPB morphology enable low k, we…
Fast lithium transport across the solid-state electrolyte (SSE)/lithium metal anode interface is critical for high-performance all-solid-state batteries. Uncovering the complex lithium dynamics governed by diverse local environments in the…
Doped films of organic small molecules are investigated with respect to their thermoelectric properties. A variety of hosts and dopants, for both n and p-doping, are compared. C$_{60}$ n-doped by Cr$_2$(hpp)$_4$ or o-MeO-DMBI-I are found to…
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…
Wadsley--Roth crystallographic shear phases form a family of compounds that have attracted attention due to their excellent performance as lithium-ion battery electrodes. The complex crystallographic structure of these materials poses a…
Recent reported very high thermal conductivities in the cubic boron arsenide (BAs) and boron phosphide (BP) crystals could potentially provide a revolutionary solution in the thermal management of high power density devices. To fully…
The dependence of the electrical conductivity on the oxygen partial pressure is calculated for the prototypical perovskite $\Ba\Ti\O_3$ based on data obtained from first-principles calculations within density functional theory. The…
The upper limit of the thermal conductivity and the mechanical strength are predicted for the polyethylene chain, by performing the {\it ab initio} calculation and applying the quantum mechanical non-equilibrium Green's function approach.…
Despite governing heat management in any realistic device, the microscopic mechanisms of heat transport in all-solid-state electrolytes are poorly known: existing calculations, all based on simplistic semi-empirical models, are unreliable…