Related papers: Lithium-ion battery modelling for nonisothermal co…
Alkaline electrolyte solutions are important components in rechargeable batteries and alkaline fuel cells. As the ionic conductivity is thought to be a limiting factor in the performance of these devices, which are often operated at…
Recent theoretical research on the fundamentals of statistical mechanics has led to a remarkable discovery [2-4]: with a locally nonchaotic energy barrier, a macroscopic system may produce useful work in a cycle by absorbing heat from a…
Interfacial thermal transport between electrodes and polymer electrolytes can play a crucial role in the thermal management of solid-state lithium-ion batteries (SLIBs). Modifying the electrode surface with functional molecules can…
Rechargeable lithium, sodium, and aluminum metal-based batteries are among the most versatile platform for high-energy, cost effective electrochemical energy storage. Non-uniform metal deposition and dendrite formation on the negative…
We review recent ab initio molecular dynamics studies of electrode/electrolyte interfaces in lithium ion batteries. Our goals are to introduce experimentalists to simulation techniques applicable to models which are arguably most faithful…
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…
Lithium-bismuth bimetallic cells are amongst the best explored liquid metal batteries. A simple and fast quasi-one-dimensional cell voltage model for such devices is presented. The equilibrium cell potential is obtained from a complex…
Charge unbalance is one of the key issues for series-connected Lithium-ion cells. Within this context, model-based optimization strategies have proven to be the most effective. In the present paper, an ad-hoc electrochemical model, tailored…
Fluid dynamics accompanies with the entropy production thus increases the local temperature, which plays an important role in charged systems such as the ion channel in biological environment and electrodiffusion in capacitors/batteries. In…
A major challenge in the development of new battery materials is understanding their fundamental mechanisms of operation and degradation. Their microscopically inhomogeneous nature calls for characterization tools that provide operando and…
Modelling the temperature of Electric Vehicle (EV) batteries is a fundamental task of EV manufacturing. Extreme temperatures in the battery packs can affect their longevity and power output. Although theoretical models exist for describing…
Solid electrolyte interphase (SEI), a thin layer that dynamically forms between active electrode and electrolyte during battery operation, critically governs the performance of rechargeable batteries1-5. An ideal SEI is expected to be…
We present a coupled cluster and linear response theory to compute properties of many-electron systems at non-zero temperatures. For this purpose, we make use of the thermofield dynamics, which allows for a compact wavefunction…
We compute the thermoelectric and thermal transport in the weakly disordered non-Fermi liquid phase of the Luttinger semimetals at zero doping, where the decay rate associated with the (strong) Coulomb interactions is much larger than the…
This work proposes a semi-empirical model for the SEI growth process during the early stages of lithium-ion battery formation cycling and aging. By combining a full-cell model which tracks half-cell equilibrium potentials, a…
Passivating lithium ion battery electrode surfaces to prevent electrolyte decomposition is critical for battery operations. Recent work on conformal atomic layer deposition (ALD) coating of anodes and cathodes has shown significant…
This paper is the second part of a series of papers about empirical approaches to open circuit voltage (OCV) modeling and its performance comparison in lithium-ion batteries. The first part of the series introduced various sources of…
We consider a set of identical mobile point-like charges (counter-ions) confined to a domain with curved hard walls carrying a uniform fixed surface charge density, the system as a whole being electroneutral. Three domain geometries are…
A one-dimensional, dynamic, two-phase, isothermal model of proton exchange membrane fuel cell systems using a finite-difference approach has been developed. This model balances the simplicity of lumped-parameter models with the detailed…
We report on the direct observation of the thermoelectric transport in a nondegenerate correlated electron system formed on the surface of liquid helium. We find that the microwave-induced excitation of the vertical transitions of electrons…