相关论文: Bandgap in orthorhombic thin lead halide perovskit…

Defect engineering is applied to hybrid (CH$_3$NH$_3$)PbI$_3$ organic-inorganic perovskites. These materials have become one of the most promising low-cost alternatives to traditional semiconductors in the field of photovoltaics and light…

Lead-free iodide double perovskites are an interesting class of materials since they combine a relatively low toxicity (compared to the lead counterpart) with the small bandgap typical of iodide-based perovskite structures. Their reported…

We present the first observations of zero-n bandgaps in photonic crystal superlattices consisting of alternating stacks of negative index photonic crystals and positive index dielectric materials in the near-infrared. Guided by ab initio…

The presence of a non-optically active polymorph (yellow-phase) competing with the optically active polymorph (black $\gamma$-phase) at room temperature in CsSnI3 and the susceptibility of Sn to oxidation, represent two of the biggest…

The highly conducting and transparent inorganic perovskites SrBO$_3$ with V, Nb, Mo, and their mixtures at the B-site have recently attracted the attention of the oxide electronics community as novel alternative transparent conducting…

Perovskite indoor photovoltaics (PIPVs) are emerging as a transformative technology for low-light intensity energy harvesting, owing to their high power conversion efficiencies (PCEs), low-cost fabrication, solution-processability, and…

Spatially resolved electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM) has been used to investigate as fluidic phase in nanoubbles embedded in a metallic Pd90Pt10 matrix. Using the 1s->2p…

SCAPS 1-D was used for the simulation of lead-free environmentally benign methylammonium tin-iodide (CH3NH3SnI3) based solar cell. Indium sulphide (In2S3) was utilized as the electron transport layer (ETL) for its high carrier mobility and…

Lead and tin-based chalcogenide semiconductors like PbTe or SnSe have long been known to exhibit an unusually low thermal conductivity that makes them very attractive thermoelectric materials. An apparently unrelated fact is that the…

Using large-scale DFT calculations (up to 1,476 atoms and 18,432 orbitals), we present the first detailed analysis on the unusual electronic properties of recently synthesized porphyrin nanotubes. We surprisingly observe extremely large…

Lead halide perovskites (MAPbX3) have emerged as promising materials for photovoltaic and optoelectronic devices. However, their exceptional nonlinear properties have not been fully exploited in nanophotonics yet. Herein we fabricate MAPbX3…

Double perovskites Cs$_2$Au$_2$X$_6$ (X=Cl, Br, I) are prototypical materials that exhibit charge disproportionation of gold into 1+ and 3+ states. It is known that the disproportionation is resolved under high pressures, and this has…

We predict enhanced electron-hole superfluidity in two coupled electron-hole armchair-edge terminated graphene nanoribbons separated by a thin insulating barrier. In contrast to graphene monolayers, the multiple subbands of the nanoribbons…

Lead-halide organic-inorganic perovskites consist of an inorganic host framework with an organic molecule occupying the interstitial space. The structure and dynamics of these materials have been heavily studied recently due to interest in…

Perovskite oxides are promising for energy and quantum technologies, but wide-gap hosts such as NaAlO3 suffer from deep-UV absorption and limited carrier transport. Using first-principles GGA+U+SOC calculations, we investigate Eu3+-, Gd3+-,…

The wide band gap methylammonium lead bromide perovskite is promising for applications in tandem solar cells and light-emitting diodes. Despite its utility, there is only a limited understanding of its reproducibility and stability. Herein,…

The role of data in modern materials science becomes more valuable and accurate when effects such as electron-phonon coupling and anharmonicity are included, providing a more realistic representation of finite-temperature material behavior.…

Halide perovskites are a promising class of materials for optoelectronic and photovoltaic applications, exhibiting high power conversion efficiency due to strong light absorption and long carrier diffusion lengths. While various aspects of…

In this work, we report the effects of calcination temperature on structural, dielectric, semiconducting and optical properties of YFeO3 nanoparticles prepared by a high energy ball milling process. The structural analysis of the X-ray…

In the development of highly efficient photovoltaic cells, solid perovskite systems have demonstrated unprecedented promise, with the figure of merit exceeding nineteen percent of efficiency. In this paper, we investigate the optical and…