Cu 2 O based semiconductor materials are promising candidates for modern electronic
devices due to have excellent electronic and optical properties. In this work, pure and Ag …

The optical and electronic characteristics of CdTe-based semiconductors play an important
role in modern optoelectronic devices. In the current study, pure and Se doped CdTe …

Titanium oxide (TiO 2) is considered as an important semiconductor material due to having
promising tuneable optoelectronic, thermoelectric, and photovoltaic applications. First …

Using a hybrid density functional, we study the electronic, magnetic, and neutral excitations
of the paradigmatic Cr-doped GaN solid. Our results indicate that the≈ 1% doped wurtzite …

Biomass tar is an unavoidable side product in the biomass direct chemical loo** process.
It is necessary to eliminate tar as it may cause operational problems, such as fouling and …

Abstract Density Functional Theory with Hubbard U parameter (DFT+ U) was used to study
the impact of C (6.25%) and Fe (12.5%) mono-and co-do** on wurtzite GaN, which …

The structural, electronic, magnetic, and optical properties of Co (6.25%) and Ni (6.25%)
monodoped and co-doped GaN were calculated by the DFT+ U method using a 2× 2× 2 …

Modern optoelectronic devices are highly dependent upon the electronic and optical
characteristics of semiconducting materials. In this work, pure and Al-doped ZrO 2 …

In the current research, we perform a density functional theory study of C, Ti mono-doped (C-
@ GaN, Ti@ GaN), and their co-doped GaN (C-Ti@ GaN). We investigate the effect of C, Ti …

Transition metal oxide shows some exceptional optical and electronic properties explore in
recent investigations. In this context, the current study presents first principal and …