Related papers: Defects in Halide Perovskites: Does It Help to Swi…
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…
Inorganic-organic lead halide perovskites, particularly methylammonium lead halide (MAPbI$_3$) perovskite, is perceived to be a promising material for optoelectronics and spintronics. However, lead toxicity and instability under air and…
Organic-inorganic halide perovskite solar cells have attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. More recent efforts show that the reduction from three- to two-dimensions…
Metal halide perovskites are known to suffer from rapid degradation, limiting their direct applicability. Here, the degradation of phenethylammonium lead iodide (PEA2PbI4) two-dimensional perovskites under ambient conditions is studied…
Metal-halide perovskites are promising materials for future optoelectronic applications. One intriguing property, important for many applications, is the tunability of the band gap via compositional engineering. While experimental reports…
Two-dimensional (2D) organic-inorganic hybrid perovskites have been intensively explored for recent years, due to their tunable band gaps and exciton binding energies, and increased stability with respect to three-dimensional (3D) hybrid…
Lead-free halide double perovskites are promising stable and non-toxic alternatives to methylammonium lead iodide in the field of photovoltaics. In this context, the most commonly used double perovskite is Cs$_2$AgBiBr$_6$, due to its…
Transition metal sulfide perovskites offer lower band gaps and greater tunability than oxides, along with other desirable properties for applications. Here we explore dimensional reduction as a tuning strategy using the Ruddlesden-Popper…
Investigation of the inherent field-driven charge transport behaviour of 3D lead halide perovskites has largely remained a challenging task, owing primarily to undesirable ionic migration effects near room temperature. In addition, the…
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…
Layered hybrid perovskites containing larger organic cations have demonstrated superior environmental stability, but the presence of these insulating spacers also strengthens the exciton binding energy, which contributes to reduced carrier…
Two-dimensional (2D) black phosphorus (i.e., phosphorene) has become a rising star in electronics. Recently, 2D phosphorus oxides with higher stability have been synthesized. In this work, we systematically explore the structures and…
Halide perovskites is a new class of semiconductors with exceptional optoelectronic properties. Among many advantages offered by halide perovskites, the bandgap energy can be tuned in a much broader range than what was possible in…
The hybrid perovskite CH3NH3PbX3 (X= Cl, Br, I) is a promising material for developing novel optoelectronic devices. Owing to the intrinsic non-layer structure, it remains challenging to synthesize molecularly thin CH3NH3PbX3 with large…
Halide perovskites have indisputably exceptional optical and electronic properties, which are attractive for next-generation optoelectronic device technologies. We report on a reversible photoluminescence (PL) peak in iodide-based…
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…
Non-invasive imaging of the atomic arrangement in two-dimensional (2D) Ruddlesden-Popper hybrid Perovskites (RPPs), as well as understanding the related effects is challenging, due to the insulating nature and softness of the organic layers…
We find significant differences between degradation and healing at the surface or in the bulk for each of the different APbBr3 single crystals (A=CH3NH3+, methylammonium (MA); HC(NH2)2+, formamidinium (FA); and cesium, Cs+). Using 1- and…
We employ a first-principles computational workflow to screen for optically accessible, high-spin point defects in wide band gap two-dimensional (2D) crystals. Starting from an initial set of 5388 point defects, comprising both intrinsic…
Three-dimensional lead halide perovskites have surprised people for their defect-tolerant electronic and optical properties, two-dimensional lead halide layered structures exhibit even more puzzling phenomena: luminescent edge states in…