The development of appropriate photocatalysts based on semiconductors is crucial for
overcoming energy and environmental challenges. Especially, photocatalysts of water …

Abstract Two-dimensional layered PbBi 2 Se 4 nanosheets were recently successfully
produced [Chatterjee et al., Phys. Chem. Chem. Phys., 2014, 16, 14,635–14639]. Inspired by …

In the present work, the structural and optoelectronic properties of pristine and strained
hexagonal Hf 2 Br 2 N 2 monolayer have been investigated using the first-principles …

One of the most interesting study areas in the renewable energy production is highly efficient
water splitting that relies on the solar energy. More promising photocatalysts which can …

In this study, the impacts of strain and an electric field on the electronic and optical
characteristics of monolayer XC 2 N 4 (X= Ti, Mo, and W) were systematically examined …

The structural, magnetic, and optical properties of the pristine and Gd-doped ZnO nanorods
(NRs), prepared by facile thermal decomposition, have been studied using a combination of …

Nonmetal do** is an effective approach to modify the electronic band structure and
enhance the photocatalytic performance of bismuth oxyhalides. Using density functional …

Very recently, a new class of the multicationic and-anionic entropy-stabilized chalcogenide
alloys based on the (Ge, Sn, Pb)(S, Se, Te) formula has been successfully fabricated and …

First-principles calculation is a very powerful tool for discovery and design of novel two-
dimensional materials with unique properties needed for the next generation technology …

The theoretical effects of compressive strain on electronic, optical and thermoelectric
properties for the cubic and tetragonal phases of BTO perovskite-type crystal have been …