The alarming levels of wastewater pollution should be seen in terms of not just the human
aspect but also lowering the quality of animals, plants, and microorganisms. This can be …

Cadmium selenide (CdSe) is a promising semiconductor extensively used in manufacturing
optoelectronic devices. Compared to the undoped CdSe (Cu 1), the crystallite size of Cu 2 …

In this study, a theoretical investigation employing the Wien2k package within DFT
framework was conducted to inspect mechanical, structural, and optoelectronic properties of …

The development of the clothing industry contributes to the advancement of contemporary
lifestyles, albeit with possible adverse implications for waste management. Photocatalysis …

Zinc sulfide (ZnS) thin films with variable structural, optical, electrical, and thermoelectric
properties were obtained by changing the source-to-substrate (SSD) distance in the physical …

Given the practical application of sapphire as a promising transparent crystal in extreme
environments, understanding the fundamental physical response of its optical properties to …

It is essential to have an adequately thick active layer to achieve efficient performance in
quantum dot intermediate band solar cells (QD-IBSC) utilizing InxGa1− xN with high indium …

The ReaxFF parameter of cadmium was trained and verified using different crystals and
clusters as training sets. By performing ReaxFF molecular dynamics, the average density of …

Surface-enhanced Raman spectroscopy (SERS) technique can achieve an ultra-high
sensitivity (ie, down to the single-molecule level) via coinage-metal nanostructures such as …

In this work, we conduct a comprehensive theoretical investigation of magnetic perovskites
PrAO3 using density functional theory, exploring their structural, elastic, mechanical …