Related papers: A one-dimensional model for water desalination by …
We present a simple, top-down approach for the calculation of minimum energy consumption of electrosorptive ion separation using variational form of the (Gibbs) free energy. We focus and expand on the case of electrostatic capacitive…
Hydrogen fuel cells are a key technology in the transition toward carbon-neutral energy systems, offering clean power with water as the only byproduct. Microfluidic fuel cells, which operate at the microliter scale, are an emerging variant…
Solid-state electrolytes, by enabling lithium metal anodes, may significantly increase the energy density of current lithium-ion batteries. However, similar to their liquid counterparts, these hard and stiff electrolytes can still be…
The recently developed modified Donnan (mD) model provides a simple and useful description of the electrical double layer in microporous carbon electrodes, suitable for incorporation in porous electrode theory. By postulating an attractive…
Using porous electrodes containing nickel hexacyanoferrate (NiHCF) nanoparticles, we construct and test a device for capacitive deionization in a two flow-channel device where the intercalation electrodes are in direct contact with an…
Water desalination through nanopores has been shown to be a promising alternative to the currently water purification processes. In spite the results in this direction obtained by means of computational simulations were animating there are…
Scale-up of flow-electrode capacitive deionization is hindered due to the reliance on thick brittle graphite current collectors. Inspired by developments of electrochemical technologies we present the use of flexible membrane electrode…
Harnessing energy from ubiquitous water resources via molecular-scale mechanisms remains a critical frontier in sustainable energy research. Herein, we present a novel evaporation-driven power generator based on a dynamic diode architecture…
A subsystem approach for obtaining electron binding energies in the valence region and apply it to the case of halide ions (X$^-$, X = F-At) in water. This approach is based on electronic structure calculations combining the relativistic…
Narrow carbon nanotubes (CNTs) desalinate water, mimicking water channels of biological membranes, yet the physics behind selectivity, especially, the effect of the membrane embedding CNTs on water and ion transfer, is still unclear. Here,…
Most of the performances of electrochemical devices are governed by molecular processes taking place at the solution-electrode interfaces and molecular simulation are the main way to study these processes. Aqueous electrochemical systems…
Layered semiconductors show promise as channel materials for field-effect transistors (FETs). Usually, such devices incorporate solid back or top gate dielectrics. Here, we explore de-ionized (DI) water as a solution top gate for…
It will be shown that for a solution of salt dissolved in water in contact with a metallic wall, the concentration of salt ions (both positive and negative) within a few Angstroms of the wall can be large enough to exceed the solubility…
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polarizable medium. Originating in molecular chemistry with finite…
Passive solar desalination is an emerging low-cost technology for fresh water production. State of the art desalinators typically evaporate water using wicking structures to achieve high solar-to-vapor efficiency by minimizing heat loss.…
Porous flow-through electrodes are used as the core reactive component across electrochemical technologies. Controlling the fluid flow, species transport, and reactive environment is critical to attaining high performance. However,…
We describe the fabrication and characterization of solid 3-dimensional electrodes in direct contact with microfluidic channels, implemented using a single photolithography step, allowing operation in high-dielectric constant media.…
We demonstrate the phenomenon of induced-charge capacitive deionization (ICCDI) that occurs around a porous and conducting particle immersed in an electrolyte, under the action of an external electric field. The external electric field…
The ability of detecting and separating CTCs can play a key role in early cancer detection and treatment. In recent years, there has been growing interest in using deformability-based CTC separation microfilters due to their simplicity and…
Groundwater pollution poses a significant threat to environmental sustainability during urbanization. Existing remediation methods like pump-and-treat and electrokinetics have limited ion transport control. This study introduces a coupled…