Related papers: Experimental and Computational Studies of the Opti…
We report on optical studies of the thin films of multiferroic hexagonal (P.G. 6mm) rare-earth orthoferrites RFeO3 (R=Ho, Er, Lu) grown epitaxially on a (111)-surface of ZrO2(Y2O3) substrate. The optical absorption study in the range of…
Samples of the Ru1-xFexSr2GdCu2O8 system with x = 0, 0.025, 0.05, 0.075, 0.1 and 0.2, were prepared and their structural, superconducting and magnetic properties were studied. Rietveld refinement of the X-ray diffraction patterns show that…
The improved photocatalytic water splitting using 2D materials has technological importance for economically viable renewable energy. The present study focuses on the effect of uniaxial, biaxial, and vertical strain on the energy gap and…
We report on results of a theoretical study of the adsorption process of a single carbon oxide molecule on a Platinum (111) surface. A four-component relativistic density functional method was applied to account for a proper description of…
The success of density functional theory for the description of the adsorption of atoms on surfaces is well established, and based on recent calculations using gradient corrections, it has been shown that it also describes well the…
The adsorption of $CO_2$ on the $Fe_3$$O_4$(001)-($\sqrt{2}$ $\times$ $\sqrt{2}$)R45{\deg} surface was studied experimentally using temperature programmed desorption (TPD), electron spectroscopies (UPS and XPS), and scanning tunneling…
A theoretical study of the newly identified Ti5Al2C3 belonging to the MAX phases has been performed by using the first-principles pseudopotential plane-wave method within the generalized gradient approximation (GGA). The energy band…
The presence of small hematite (Fe2O3) clusters at low coverage on titanium dioxide (TiO2) surface has been observed to enhance photocatalytic activity, while excess loading of hematite is detrimental. We conduct a comprehensive density…
Sulfide chalcopyrite, Cu(In,Ga)S2, having wide bandgap (larger than 1.5 eV), favorable optoelectronic properties, and high stability, is a promising top-cell absorber for tandem applications. Adapting device structures optimized for 1.0 -…
We describe the colloidal hot-injection synthesis of phase-pure nanocrystals (NCs) of a highly abundant mineral, chalcopyrite (CuFeS2). Absorption bands centered at around 480 and 950 nm, spanning almost the entire visible and near infrared…
The quest for efficient and sustainable green energy solutions has led to a growing interest in half Heusler alloys, particularly for thermoelectric and spintronic applications. This study investigates the multifaceted nature of cobalt…
In this work, first principle calculations of Cu$_2$ZnSnS$_4$ (CZTS), Cu$_2$ZnGeS$_4$ (CZGS) and Cu$_2$ZnSiS$_4$ (CZSS) are performed to highlight the impact of the cationic substitution on the structural, electronic and optical properties…
Materials with large magnetostriction are widely used in sensors, actuators, micro electromechanical systems, and energy-harvesters. Binary Fe-Ga alloys (Galfenol) are the most promising rare-earth-free candidates combining numerous…
The effect of ultrasonic melting processing on three-dimensional architecture of intermetallic phases and pores in two multicomponent cast Al-5.0Cu-0.6Mn-0.5 Fe alloys is characterized using conventional microscopy and synchrotron X-ray…
Halide double perovskites have recently been proposed as potential environmentally friendly alternatives to organic group and lead based hybrid halide perovskites. In particular, Cs2BiAgX6 have been synthesized and found to exhibit tunable…
We present $\it {ASCA}$ observations of the z=1.98 prototype BALQSO: PHL5200. The source was detected in both SIS and GIS. A power-law spectrum ($\alpha_E = 0.6^{+0.9}_{-0.6}$) with large intrinsic absorption (N$_H = 1.3^{+2.3}_{-1.1}…
Alloying small quantities of silver into Cu(In,Ga)Se2 was shown to improve the efficiency for wide and low band gap solar cells. We study low band gap industrial Cu(In,Ga)(S,Se)2 absorbers, substituting less than 10% of the copper with…
In pursuit of an all-inorganic non-toxic perovskite solar cell (PSC) with enhanced performance, we have investigated the rhombohedral phase of the germanium-based rubidium halide perovskites RbGeX$_3$ (X = Cl, Br, I). The structural…
Black TiO2 with/without noble metal has been proposed for visible photocatalyst, still leaving poor catalyst efficiency. Alternatively, phase-mixed TiO2 such as anatase and rutile has been commonly used for visible catalysts with the…
Two strategies for enhancing photovoltaic (PV) performance in chalcopyrite solar cells were investigated: Cu1-xKxIn1-yGaySe2 absorbers with low K content (K/(K+Cu), or x ~ 0.07) distributed throughout the bulk, and CuIn1-yGaySe2 absorbers…