Related papers: Temperature effects on the ionic conductivity in c…
Interaction non-additivity in the chemical context means that binding of certain atom to a reference atom cannot be fully predicted from the interactions of these two atoms with other atoms. This constitutes one of key phenomena determining…
The metallic compound NaRh2O4 forms a full range solid solution to the insulating phase CaRh2O4. At a Na concentration of 0.25 moles per formula unit, we found an unexpected contribution to the specific heat at low temperature [K. Yamaura…
Large-scale energy storage has become an inevitable solution for integrating stochastically available renewable energy sources into the electric grid. Vanadium redox flow batteries offer a viable option among other technologies, due to…
Ensuring solid-state lithium batteries perform well across a wide temperature range is crucial for their practical use. Molecular dynamics (MD) simulations can provide valuable insights into the temperature dependence of the battery…
The temperature dependence of the integrated optical conductivity I(T) reflects the changes of the kinetic energy as spin and charge correlations develop. It provides a unique way to explore experimentally the kinetic properties of strongly…
We study the thermal diffusion coefficient DT of a charged colloid in a temperature gradient, and find that it is to a large extent determined by the thermoelectric response of the electrolyte solution. The thermally induced salinity…
A nonequilibrium thermodynamic model is presented for the nonisothermal lithium-ion battery cell. Coupling coefficients, all significant for transport of heat, mass, charge and chemical reaction, were used to model profiles of temperature,…
We present a temperature-dependent extension of the approximate electronic conductivity formula of Hindley and Mott that leverages time-averaged fluctuations of the electronic density of states obtained from ab initio molecular dynamics. By…
Aqueous electrolyte solutions under the influence of a temperature gradient can generate thermoelectric fields, which arise from different responses of the positive and negative charges. This is related to the thermo diffusion effect which…
Thermal management is vital for the efficient and safe operation of alkaline electrolysis systems. Traditional alkaline electrolysis systems use simple proportional-integral-differentiation (PID) controllers to maintain the stack…
The question of if silica nanoparticles can enhance the ionic conductivity of a polymer electrolyte above its crystallization temperature has remained unclear for the two decades following the first experiments on these systems. We use…
We demonstrate the possiblity to cool nanoelectronic systems in nonequilibrium situations by increasing the temperature of the environment. Such cooling by heating is possible for a variety of experimental conditions where the relevant…
The complex electric modulus and the ac conductivity of carbon nanoonion/polyaniline composites were studied from 1 mHz to 1 MHz at isothermal conditions ranging from 15 K to room temperature. The temperature dependence of the electric…
Delivering the full benefits of first principles calculations to battery materials demands the development of accurate and computationally-efficient electronic structure methods that incorporate the effects of the electrolyte environment…
Room-temperature (RT) conductivity of most candidates for solid electrolytes of miniaturized lithium-ion batteries is still 1-2 orders of magnitude below commercial requirements, therefore several approaches are being pursued aiming the…
Recrystallization of glasses is important in a wide range of applications including electronics and reactive materials. Molecular dynamics (MD) has been used to provide an atomic picture of this process, but prior work has neglected the…
We theoretically study the electrokinetic transport properties of nano-fluidic devices under the influence of a pressure, voltage or salinity gradient. On a microscopic level the behaviour of the device is quantified by the Onsager matrix…
Ionic fluids under conductive confinement are central to technologies such as batteries, supercapacitors, and fuel cells. Their interfacial behavior governs energy storage and electrochemical processes. Despite their importance, the…
Modelling electrolytes accurately on both a nanoscale and cell level can contribute to improving battery chemistries.[Armand and Tarascon, Nature, 2008, 451, 652-657] We previously presented a thermodynamic continuum model for…
We show that for any liquid or solid with strong correlation between its $NVT$ virial and potential-energy equilibrium fluctuations, the temperature is a product of a function of excess entropy per particle and a function of density,…