Related papers: Silicon clathrates for photovoltaics predicted by …
Recent observations indicated that the photoelectric conversion properties of perovskite materials are intimately related to the presence of superlattice structures and other unusual nanoscale features in them. The low dimensional or mixed…
The efficiency of collecting photons from optically active defect centres in bulk diamond is greatly reduced by refraction and reflection at the diamond-air interface. We report on the fabrication and measurement of a geometrical solution…
We present a study of mechanical, electronic and magnetic properties of two dimensional (2D), monolayer of silicon carbide (SiC) in honeycomb structure and its quasi 1D armchair nanoribbons using first-principles plane wave method. In order…
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…
Quaternary mixed-metal M(II)2M(III)Ch2X3 chalcohalides are an emerging material class for photovoltaic absorbers that combines the beneficial optoelectronic properties of lead-based halide perovskites with the stability of metal…
Researchers have addressed the non-traditional power generation schemes as alternatives to the traditional fossil-fuel methods enormously since the scientific community has serious concerns about shortages of energy on our planet for future…
Silicon photodetectors operating at near-infrared wavelengths with high-speed and high sensitivity are becoming critical for emerging applications, such as Light Detection and Ranging Systems (LIDAR), quantum communications, and medical…
Reliable and robust methods of predicting the crystal structure of a compound, based only on its chemical composition, is crucial to the study of materials and their applications. Despite considerable ongoing research efforts, crystal…
We introduce a scheme to design patchy particles so that a given target crystal is the global free-energy minimum at sufficiently low temperature. A key feature is a torsional component to the potential that only allows binding when…
Photonic crystal cavities enable the realization of high Q-factor and low mode-volume resonators, with typical architectures consisting of a thin suspended periodically-patterned layer to maximize confinement of light by strong index…
One of the most viable renewable energies is solar power because of its versatility, reliability, and abundance. In the market, a majority of the solar panels are made from silicon wafers. These solar panels have an efficiency of 26.4…
The lead-free double perovskite material (viz. Cs$_2$AgBiCl$_6$) has emerged as an efficient and environmentally friendly alternative to lead halide perovskites. To make Cs$_2$AgBiCl$_6$ optically active in the visible region of solar…
The complex theoretical and experimental studies of the band structure and the optical functions of the Cu2CdGeSe4 quaternary crystals are reported. The benchmark band structure calculations were performed using the first-principles…
Future hadron collider experiments will require sensing materials that withstand stronger radiation fields. Therefore, either a frequent replacement of detectors, a significant increase in radiation hardness of Silicon, or a shift to…
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)…
Sulfide Kesterite Cu2ZnSnS4 (CZTS), a nontoxic and low-cost photovoltaic material, has always being facing severe charge recombination and poor carrier transport, resulting in the cell efficiency record stagnating around 11% for years.…
The electronic structure of materials is fundamentally governed by their crystal symmetry. While most research on two-dimensional materials has focused on hexagonal lattices, such as graphene, hexagonal boron nitride, and transition metal…
Optical interference holography has been proved to be a useful technique in fabricating periodic photonic crystals in which electromagnetic waves are forbidden in certain frequency bandgaps. Compared to periodic crystals quasicrystals,…
We investigate the binding nature of the endohedral sodium atoms with the ensity functional theory methods, presuming that the clathrate I consists of a sheaf of one-dimensional connections of Na@Si$_{24}$ cages interleaved in three…
Silicon photonics is destined to revolutionize technological areas, such as short-distance data transfer and sensing applications by combining the benefits of integrated optics with the assertiveness of silicon-based microelectronics.…