ZnO/PDA/Mesoporous Cellular Foam Functionalized Thin-Film Nanocomposite Membrane towards Enhanced Nanofiltration Performance.

Thin-film nanocomposite (TFN) membranes are the third-generation membranes being explored for nanofiltration applications. Incorporating nanofillers in the dense selective polyamide (PA) layer improves the permeability-selectivity trade-off. The mesoporous cellular foam composite Zn-PDA-MCF-5 was used as a hydrophilic filler in this study to prepare TFN membranes.

Sodium ion intercalation and multi redox behavior of a Keggin type polyoxometalate during [PMoVO] to [PMoVO] as a cathode material for Na-ion rechargeable batteries.

Recently, the development of cathode materials for Na-ion batteries has gained much attention due to the abundance, low cost, and easy availability of resources. Apart from the usual metal oxides, multi-electron redox materials grabbed attention due to their high energy density and practical capacity with long cycle life. Polyoxometalates (POMs) are inorganic clusters of higher valent metals, and act as electron sponges with multi-electron redox properties.

Carbon dioxide adsorption and activation on ionic liquid decorated Au(111) surface: A DFT study.

We use first principle approaches to study the adsorption and catalytic activation mechanism of CO on ionic liquids (ILs, [CMIm][Cl] (n = 0-6)) attached to a Au(111) surface. The adsorption of CO at this liquid-solid model interface occurs via either (i) parallel π-stacking mode or (ii) CO oxygen lone pair (lp)···π interaction. These CO physisorption modes, which depend on the CO landing angle at this interface, are identified as an efficient way to activate CO and its further conversion into value-added products.

Selection of a suitable ZIF-8/ionic liquid (IL) based composite for selective CO capture: the role of anions at the interface.

The effective capture of CO from the atmosphere is much needed to reduce its environmental impact. The design and development of CO capturing materials is getting much attention. A zeolitic imidazolate framework (ZIF) can replace many of the conventional materials in gas separation due to its stability and high performance.

Density Functional Theory Studies on Zeolitic Imidazolate Framework-8 and Ionic Liquid-Based Composite Materials.

The identification of suitable density functional methods for predicting the properties of nanoporous composite materials is highly significant in the field of chemical and material sciences. The stability of the composite materials depends on the nature of bonding and dispersive interaction at the interface. Thus, we have studied the effect of dispersion correction in the incorporation of hydrophobic and hydrophilic ionic liquids (ILs) into zeolitic imidazolate framework-8 (ZIF-8) nanostructures using the density functional theory (DFT)-based approaches.