Related papers: Nitrate removal from water using electrostatic reg…
An electric field applied to a droplet impinging on a hydrophobic surface has an extensive variety of applications, including ant-icing, heat transfer enhancement, self-cleaning, droplet manipulation, and electrostatic spraying. The present…
We develop a model that captures the dominant chemical mechanisms involved in the removal of fluoride from water by a novel adsorbent comprising mineral rich carbon (MRC) and chemically treated mineral rich carbon (TMRC). Working with…
Developing sustainable battery electrode manufacturing methods is particularly pressing for alloying-type active materials, such as silicon, which often require additional energy-intensive and solvent-based processing to reinforce them with…
We have investigated the electron attachment dynamics of uracil in water using accurate wave-function and QM/MM methods. The initial electron attached state is found to be localized on the water and mixing of electronic and nuclear degrees…
Degradation technologies applied to emerging organic contaminants from human activities are one of the major water challenges in the contamination legacy. Triclosan is an emerging contaminant, commonly used as antibacterial agent in…
Biological systems are known to be highly transparent to 700-1100nm near-infrared (NIR) light. It is shown here that the strong optical absorbance of single-walled carbon nanotubes (SWNTs) in this special spectral window, an intrinsic…
Water mediates electrostatic interactions via the orientation of its dipoles around ions, molecules, and interfaces. This induced water polarization consequently influences multiple phenomena. In particular, water polarization modulated by…
Direct air capture of carbon dioxide (CO$_2$) is one of the most promising strategies to mitigate rising atmospheric CO$_2$ levels. Among various techniques, adsorption using porous materials is a viable method for extracting CO$_2$ from…
Electroosmosis is a fascinating effect where liquid motion is induced by an applied electric field. Counter ions accumulate in the vicinity of charged surfaces, triggering a coupling between liquid mass transport and external electric…
When uranyl nitrate is photolysed in the water solution, light isotope ${}^{235}{\rm U}$ is separated from isotope ${}^{238}{\rm U}$ ; an enrichment factor $K = 1.04$ . The initial samples were depleted by a light isotope of uranium…
Directed ion transport in liquid electrolyte solutions underlies many phenomena in Nature and industry. While Nature has devised structures that drive continuous ion flow without Faradaic redox reactions, artificial analogs do not exist.…
A decade ago, an electron-attachment process called interatomic Coulombic electron capture has been predicted to be possible through energy transfer to a nearby neighbor. It has been estimated to be competitive with environment-independent…
MnxOy coated over TiO2 nanotube array substrate was doped with Mo and polyaniline (PANI) and applied for electrochemical desulfurization of concentrated sulfide (HS) solutions at basic pH, typical of biogas scrubbing solutions and…
Dendrite free electrodeposition of lithium metal is necessary for the adoption of high energy density rechargeable lithium metal batteries. Here, we demonstrate a new mechanism of using a liquid crystalline electrolyte to suppress dendrite…
Using molecular dynamic simulations we show that single-layers of molybdenum disulfide (MoS$_2$) and graphene can effectively reject ions and allow high water permeability. Solutions of water and three cations with different valence…
Interfaces between aqueous electrolytes and nanoporous carbons are involved in a number of technological applications such as energy storage and capacitive deionization. The disordered nature of the carbon materials makes it challenging to…
The results of molecular dynamics simulations of the properties of water in an aqueous ionic solution close to an interface with a model metallic electrode are described. In the simulations the electrode behaves as an ideally polarizable…
Industrial scale NH3 production is mainly produced by the Haber Bosch process, but it suffers from intensive energy consumption with serious CO2 emission. Electrochemical N2 reduction reaction (NRR) is now used for energy-saving NH3…
The design and development of inexpensive highly efficient electrocatalysts for hydrogen production, underpins several emerging clean-energy technologies. In this work, for the first time, molybdenum disulfide (MoS2) nanodots have been…
Despite the success of reverse osmosis (RO) for water purification, the molecular-level physico-chemical processes of contaminant rejection are not well understood. Here we carry out NEMD simulations on a model polyamide RO membrane to…