Machine learning-enhanced band gaps prediction for low-symmetry double and layered perovskites.

Density functional theory (DFT) calculations are widely used for material property prediction, but their computational cost can hinder the discovery of novel perovskites. This work explores machine learning (ML) as a faster alternative for predicting band gaps in complex perovskites, focusing on low-symmetry double and layered structures. We employ Support Vector Regression (SVR), Random Forest Regression (RFR), Gradient Boosting Regression (GBR), and Extreme Gradient Boosting (XGBoost) to predict both direct and indirect band gaps.

Improvement of optical and structural properties of ZIF-8 by producing multifunctional Zn/Co bimetallic ZIFs for wastewater treatment from copper ions and dye.

In the paper, high specific surface area (SSA) mono and bimetallic zeolitic imidazolate frameworks (ZIFs) based on zinc and cobalt metals are successfully synthesized at room temperature using different ratios of Zn to Co salts as precursors and ammonium as a solvent to tailor the properties of the produced ZIF and optimize the efficiency of the particles in water treatment from dye and copper ions, simultaneously. The results declare that monometallic and bimetallic ZIF microparticles are formed using ammonium and the tuning of pore sizes and also increasing the SSA by inserting the Co ions in Zn-ZIF particles is accessible. It leads to a significant increase in the thermal stability of bimetallic Zn/Co-ZIF and the appearance of an absorption band in the visible region due to the existence of Co in the bimetallic structures.

The physical properties and photocatalytic activities of green synthesized ZnO nanostructures using different ginger extract concentrations.

The green synthesis method which is aligned with the sustainable development goals (SDGs) theory, is proposed to synthesize ZnO nanoparticles using ginger extract to treat the acidic wastewater and acidic factory effluent as a current challenge and the effects of the concentration of extracts on the synthesized ZnO nanostructures are investigated. The results declare that the single-phase hexagonal ZnO is formed using ginger extract concentration of less than 25 mL and the crystallite size of green synthesized ZnO NPs increased with increasing the concentration of ginger extract. Also, the significant effects of ginger extract concentration on the morphology of nanoparticles (nanocone, nanoflakes, and flower-like) and the particle size are demonstrated.

High specific surface area γ-AlO nanoparticles synthesized by facile and low-cost co-precipitation method.

Alumina (AlO) nanoparticles (NPs) are particularly adsorbent NPs with a high specific surface area (SSA) that may well be utilized to clean water. In this study, pure γ-alumina NPs are successfully synthesized by the co-precipitation method, and the effect of ammonium bicarbonate concentration on the synthesized NPs is studied to find the optimum concentration to provide the highest capacity of copper ions removal from water. The results declare that spherical alumina NPs with average diameters in the range of 19-23 nm are formed with different concentrations of precipitation agent, and the concentration has no significant effect on the morphology of NPs.