Related papers: Towards an efficient perovskite visible-light acti…

Cu$_3$SbSe$_4$ is a promising thermoelectric material due to high thermopower ($>400\ \mu$V/K) at 300K and higher. Although it has a simple crystal structure derived from zinc blende structure, previous work has shown that the physics of…

Antiperovskites are a rich family of compounds with applications in battery cathodes, superconductors, solid-state lighting, and catalysis. Recently, a novel series of antimonide phosphide antiperovskites (A$_3$SbP, where A = Ca, Sr, Ba)…

We report on the optical properties of magnetic cobalt-doped anatase phase titanium dioxide Ti_{1-x}Co_{x}O_{2-d} films for low doping concentrations, 0 <= x <= 0.02, in the spectral range 0.2 to 5 eV. For well oxygenated films (d << 1) the…

Doping is one of the most common strategies for improving the photocatalytic and solar energy conversion properties of TiO$_2$, hence an accurate theoretical description of the electronic and optical properties of doped TiO$_2$ is of both…

Internal photoemission spectroscopy was used to determine the Schottky barrier height in rectifying SrRuO3/Nb-doped SrTiO3 junctions for 0.01 wt % and 0.5 wt % Nb concentrations. Good agreement was obtained with the barrier height deduced…

Emergence of inorganic metal halide perovskites as multifunctional optoelectronic materials are due to their exceptional tunability in optoelectronic properties. This study sought to enhance the physical and mechanical properties of…

Photoelectrochemical solar water splitting is a promising approach to convert solar energy into sustainable hydrogen fuel using semiconductor electrodes. Due to their visible light absorption properties, oxynitrides have shown to be…

With help of ab initio density functional theory calculation, DFT+U, and hybrid functional HSE06, we revisit the layer dependent electronic structure and magnetic properties of pristine and 3d transition metal Cr doped MoS$_2$ monolayer and…

Chalcogenide perovskites have emerged as promising lead free materials for photovoltaic and thermoelectric applications. Among them, BaZrS3 has attracted particular attention due to its thermal and chemical stability, favorable…

Graphene has attracted increasing interests due to its remarkable properties, however, the zero band gap of monolayer graphene might limit its further electronic and optoelectronic applications. Herein, we have successfully synthesized…

The photoluminescence (PL) spectra of Ar-ion irradiated single crystals of SrTiO3 (STO) excited by the 325 nm line of a He-Cd laser are compared with those of pristine crystals, epitaxial films, and amorphous layers of STO at several…

Solution combustion synthesized hole transport layer of co-doped spinel nickel cobaltite were fabricated using doctor-blading technique for planar inverted perovskite solar cells. Perovskite solar cells incorporating Co-doped spinel nickel…

Extensive efforts have been undertaken on the photoelectric physics of hybrid organolead halide perovskites to unveil the reason for the attractive photovoltaic performance. Yet, the resulting evidences are far from being fully conclusive.…

We report the effect of co-doping of In and Ga at low concentrations on the structural, electronic, and thermoelectric properties of SnTe based compositions $Sn_{1.03-2x}In_{x}Ga_{x}Te$ (x = 0, 0.01, 0.02, 0.04) prepared by the solid-state…

We report very large bandgap enhancement in SrTiO3 (STO) films (fabricated by pulsed laser deposition below 800 {\deg}C), which can be up to 20% greater than the bulk value, depending on the deposition temperature. The origin is…

Hydrogenated amorphous silicon is well known for its various alloys and wide ranging opto-electronic properties. Hydrogenated silicon sub-oxide (aSiO:H) is one of them. The effect of boron doping on optoelectronic properties of the aSiO:H…

This study investigates the photocatalytic nitrogen fixation on a cation-doped surface (Bi$_{x}$M$_{y}$)$_2$MoO$_6$ where (M = Fe, La, Yb) in both the orthorhombic and monoclinic configurations using a density functional theory (DFT)…

The n-type tensile-strained Ge can be used as high-efficient light-emitting materials. To reveal the influence of n-type doping on the electronic structure of Ge, we have computed the electronic structure of P, As and Sb doped Ge using…

Because of its exceptionally large Pockels coefficient, barium titanate (BaTiO$_3$) is a promising material for various photonic applications at both room and cryogenic temperatures, including electro-optic modulation, frequency comb…

First-principles band structure investigations of the electronic, optical and magnetic properties of Mo-doped In$_2$O$_3$ reveal the vital role of magnetic interactions in determining both the electrical conductivity and the Burstein-Moss…