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Hydrophobic solid-water interfaces underpin processes in nanofluidics, electrochemistry, and energy technologies. Microscopic insights into these systems are often inferred from our understanding of the air-water interface, which is assumed…
While numerous methods achieving remarkable performance exist in the Object Detection literature, addressing data distribution shifts remains challenging. Continual Learning (CL) offers solutions to this issue, enabling models to adapt to…
A three-dimensional (3D) electrochemical flow-through reactor equipped with GAC packed bed, polarized by the electric field, was evaluated for the removal of persistent organic contaminants from real sewage effluent. The performance of the…
The electronic structure of the zero-gap two-dimensional graphene has a charge neutrality point exactly at the Fermi level that limits the practical application of this material. There are several ways to modify the Fermi-level-region of…
Water in nanoscale cavities is ubiquitous and of central importance to everyday phenomena in geology and biology. However, the properties of nanoscale water can be remarkably different from bulk, as shown e.g., by the anomalously low…
We apply first principles computational techniques to analyze the two-electron, multi-step, electrochemical reduction of CO2 to CO in water using cobalt porphyrin as a catalyst. Density Functional Theory calculations with hybrid functionals…
Water-in-salt electrolytes (WiSEs) are a class of super-concentrated electrolytes that have shown much promise in replacing organic electrolytes in lithium-ion batteries. At the extremely high salt concentrations of WiSEs, ionic association…
A novel method to pump fluid in lab on chip devices with velocities up to tens of micrometer per second is introduced. A focused laser beam locally heats up an electrolyte. A net charge tends to accumulate in the heat-absorbing area, due to…
The solid-state electrolyte is critical for achieving next-generation high energy density and high-safety batteries. Solid polymer electrolytes (SPEs) possess great potential for commercial application owing to their compatibility with the…
The inability of conventional methods to completely remove the contaminants from pharmaceutical effluents led us to study the effect of Electron Beam (EB) irradiation on real pharmaceutical wastewater. In this paper, the samples from…
Hypothesis. The dielectric constant of an electrolyte solution, which determines electrostatic interactions between colloids and interfaces, depends nonlinearly on the salinity and also on the type of salt. The linear decrement at dilute…
In the present work, we study an electrolyte solution confined between planar surfaces with nonopatterned charged domains, which has been connected to a bulk ionic reservoir. The system is investigated through an improved Monte Carlo (MC)…
The freshwater crisis is a growing concern and a pressing problem for the world because of the increasing population, civilization, and rapid industrial growth. The water treatment facilities are able to supply less than 1% of the total…
In the context of describing electrons in solids as a fluid in the hydrodynamic regime, we consider a flow of electrons in a channel of finite width, i.e.~a Poiseuille flow. The electrons are accelerated by a constant electric field. We…
Constant potential methods (CPM) enable computationally efficient simulations of the solid-liquid interface at conducting electrodes in molecular dynamics (MD). They have been successfully used, for example, to realistically model the…
Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into…
Understanding the solvation structure of electrolytes is crucial for optimizing the performance and stability of lithium-ion batteries. Novel electrolytes are essential for enhancing electrolyte structure and ensuring better integration…
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…
Large scale production of hydrogen by electrochemical water splitting is considered as a promising technology to address critical energy challenges caused by the extensive use of fossil fuels. Although nonprecious nickel-based catalysts…
Heavy metal pollution is a severe environmental problem affecting many water resources. The non-biodegradable nature of the heavy metals such as lead (Pb) causes severe human health issues, so their cost-effective, sensitive and rapid…