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Nanoporous supercapacitors play an important role in modern energy storage systems, and their modeling is essential to predict and optimize the charging behaviour. Two classes of models have been developed that consist of finite and infinitely long pores. Here, we show that although both types of models predict qualitatively consistent results, there are important differences emerging due to the finite pore length. In particular, we find that the ion density inside a finite pore is not constant but increases linearly from the pore entrance to the pore end, where the ions form a strongly layered structure. This hinders a direct quantitative comparison between the two models. In addition, we show that although the ion density between the electrodes changes appreciably with the applied potential, this change has a minor effect on charging. Our simulations also reveal a complex charging behaviour, which is adsorption-driven at high voltages, but it is dominated either by co-ion desorption or by adsorption of both types of ions at low voltages, depending on the ion concentration.
The localization length and density of states of carbon nanotubes are evaluated within the tight-binding approximation. By comparison with the corresponding results for the square lattice tubes, it is found that the hexagonal structure affects strong
Liquid infused surfaces (LIS) exhibit unique properties that make them ideal candidates for a wide range of applications, from anti-fouling and anti-icing coatings to self-healing surfaces and controlled wetting. However, when exposed to realistic en
The evolution of porous structure, potential energy and local density in binary glasses under oscillatory shear deformation is investigated using molecular dynamics simulations. The porous glasses were initially prepared via a rapid thermal quench fr
Molecular dynamics simulations are carried out to investigate mechanical properties and porous structure of binary glasses subjected to steady shear. The model vitreous systems were prepared via thermal quench at constant volume to a temperature well
Descriptors that characterize the geometry and topology of the pore space of porous media are intimately linked to their transport properties. We quantify such descriptors, including pore-size functions and the critical pore radius $delta_c$, for fou