Related papers: Experimental and Computational Studies of the Opti…
Surface fluorination of TiO$_2$ (F-TiO$_2$) has complicate photocatalytic behavior in degradation of organic compounds. This work attempts to establish an elegant scenario based on the band model to understand this behavior. Density…
Spin coating technique was employed to fabricate CuO films at different spin speeds for different time duration, and they were annealed at different temperatures for different time durations in air. These thin films were characterized using…
The Cu-deficient CuxInSe2 (x larger than 0.3) phase can be stabilized as a thin film. A uniform Cu-deficient composition with a chalcopyrite structure was obtained by the precision engineering of a two-step synthesis process involving…
A comprehensive study of the structural, electronic, and optical properties of lead-free perovskites has been carried out by means of first principles method based on DFT. The calculations are performed for the compound of the type A2BX6…
Simultaneous differential thermal analysis (DTA) and thermogravimetric (TG) measurements with copper oxide/aluminum oxide mixtures were performed in atmospheres with varying oxygen partial pressures and with crucibles made of different…
Wide-gap Cu(In,Ga)S2 solar cells with In2O3:Sn (ITO) as transparent back contact are evaluated for the application as top cells in tandem devices. The effect of Na on the solar cell performance is investigated by supplying additional Na by…
The dielectric function of heteroepitaxial YBiO$_3$ grown on $a$-Al$_2$O$_3$ single crystals via pulsed laser deposition is determined in the spectral range from 0.03 eV to 4.5 eV by simultaneous modeling of spectroscopic ellipsometry and…
In this paper, we present a theoretical investigation of photoabsorption spectrum of the newly synthesized hydrogenated cluster of aluminium, Al4H6. The calculations are performed within the wave-function-based semi-empirical method…
The quasi 2D electron system (q2DES) that forms at the interface between LaAlO3 and SrTiO3 has attracted much attention from the oxide electronics community. One of its hallmark features is the existence of a critical LaAlO3 thickness of 4…
X-ray absorption spectroscopy yields direct access to the electronic and geometric structure of hybrid inorganic-organic interfaces formed upon adsorption of complex molecules at metal surfaces. The unambiguous interpretation of…
We computed the optical properties and the folded and unfolded band structure of Cu-doped KCl crystals. The calculations use the plane-wave pseudo-potential approach implemented in the ABINIT electronic structure package within the…
Novel photoelectrocatalysts that use sunlight to power the CO$_2$ reduction reaction will be crucial for carbon-neutral power and energy-efficient industrial processes. Scalable photoelectrocatalysts must satisfy a stringent set of…
Photoabsorption cross sections for 235 stable nuclei, ranging from $^{40}$Ca to $^{209}$Bi, were investigated by the quasiparticle finite amplitude method (QFAM) based on the axially deformed relativistic Hartree-Bogoliubov (RHB) approach…
Ultraviolet and visible integrated photonics are enabling for applications in quantum information, sensing, and spectroscopy, among others. Few materials support low-loss photonics into the UV, and the relatively low refractive index of…
Operando X-ray absorption spectroscopy (XAS) can probe the electrode-electrolyte interface with single-digit nanometer depth resolution and offers a wealth of insight into the evolution and Coulombic efficiency or degradation of prototype…
We predict and experimentally demonstrate a new type of collective (cooperative) coupling effect where a disordered atomic ensemble absorbs light with a rise-time longer (i. e., at a rate slower) than what is dictated by single-atom…
The detection of high gas-phase abundances of SO2 and SO in the cold envelope of an intermediate mass protostar suggests that these molecules might form on icy dust grains and subsequently desorb to the gas phase by non-thermal desorption…
Room temperature photoluminescence and optical absorption spectra have been measured in wurtzite In$_{x}$Al$_{y}$Ga$_{1-x-y}$N (x $\approx$ 0.06, 0.02 < y < 0.27) layers grown by molecular beam epitaxy. Photoluminescence spectra show both…
Doping of strongly layered ionic oxides is an established paradigm for creating novel electronic behavior. This is nowhere more apparent than in superconductivity, where doping gives rise to high temperature superconductivity in cuprates…
We have measured the V 2p3/2 and O 1s x-ray absorption spectra of single crystal V2O5 and V6O13 and compared to linear combinations of atomic orbitals (LCAO) density of states (DOS) calculations. The spectra change dramatically with…