August 2022 - 19 articles
Pressure-induced amorphization (PIA) has drawn great attention since it was first observed in ice. This process depends closely on the crystal structure, the size, the morphology and the correlated pressurization environments, among which the morphol...
Uranyl ions, {UO2}n+ (n = 1, 2), display trans, strongly covalent, and chemically robust U-O multiple bonds, where 6d, 5f, and 6p orbitals play important roles. The synthesis of isoelectronic analogues of uranyl has been of interest for quite some ti...
The structure, equation of state and transport properties of warm dense nitric oxide (NO) were investigated in wide density and temperature ranges by ab initio molecular dynamics simulations. Both the Perdew–Burke–Ernzerhof (PBE) and the...
C3N4 is an innovative material that has had huge success as a photocatalyst in recent years. More recently, it has been coupled to robust metal oxides to obtain more stable materials. This work is focused on the different synthesis techniques used to...
The rational design of heterometallic compounds bearing s-block metal ions have been a difficult task for chemists owing to their lack of preferential geometries. However, some strategies, such as the design of coordinating pockets with different siz...
A practical application composite based on mixed chelate complexes [M(S-Ala)2(H2O)n]–[M(S-Phe)2(H2O)n] (M = Cu(II), Zn(II); n = 0–1) as chiral selectors in enantioselective voltammetric sensors was suggested. The structures of the resulti...
Energy levels of pentacoordinate d5 to d9 complexes were evaluated according to the generalized crystal field theory at three levels of sophistication for two limiting cases of pentacoordination: trigonal bipyramid and tetragonal pyramid. The electro...
Iridium Oxide (IrO2) is a metal oxide with a rutile crystalline structure, analogous to the TiO2 rutile polymorph. Unlike other oxides of transition metals, IrO2 shows a metallic type conductivity and displays a low surface work function. IrO2 is als...
The quality and the performance of hybrid perovskite (HP)’s films strongly depend on the complete conversion into MAPbI3 of a spin-coated solution of methylammonium iodide (MAI) and PbI2. Highly crystalline PbI2 on a substrate limits such a conversio...
Nonessential heavy metals are toxic to human health. In this study, mercury, a hazardous metal, was detected by colorimetric analysis using Artemisia vulgaris-mediated silver nanoparticles (AgNP) without any modification in an aqueous solution. The U...
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