Related papers: Accelerating Photovoltaic Materials Development vi…
Lead-free double perovskites are gaining attention for photovoltaic (PV) applications due to their long carrier lifetimes, tunable bandgaps, and low toxicity. Using first-principles calculations, we studied the structural, electronic and…
Hitting hard on the binary halides yields in the formation of Cs2[AgIn]Br6. The lead-free double perovskite marks, although not usable itself, a further step forward in finding sustainable and durable perovskite materials for photovoltaic…
In this work, we present a ready-to-use symmetry invariant expansion form of the eight-band k.p Hamiltonian for inorganic and organic metal halide perovskites (CsPbX$_3$ and MAPbX$_3$ with $X = \{$Cl, Br, I$\}$). We use the k.p model to…
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…
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…
Mixed-halide lead perovskites, with photoexcited charge-carrier properties suitable for high-efficiency photovoltaics, hold significant promise for high-efficiency tandem solar cells. However, phase segregation under illumination, where an…
Transfer learning increasingly becomes an important tool in handling data scarcity often encountered in machine learning. In the application of high-throughput thickness as a downstream process of the high-throughput optimization of…
The 2D/3D construction of hybrid perovskite interfaces is gaining increasing attention due to their enhanced stability towards degradation without compromising the corresponding solar cell efficiency. Much of it is due to the interfacial…
Metal halide perovskites (MHPs) are low-temperature processable hybrid semiconductor materials with exceptional performances that are revolutionizing the field of optoelectronic devices. Despite their great potential, commercial deployment…
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.…
Two-dimensional (2D) semiconductors isoelectronic to phosphorene has been drawing much attention recently due to their promising applications for next-generation (opt)electronics. This family of 2D materials contains more than 400 members,…
Organohalide perovskite with a variety of surface structures and morphologies have shown promising potential owing to the choice of the type of heterostructure dependent stability. We systematically investigate and discuss the impact of…
The ideal band gap for a photovoltaic active layer for the solar spectrum is around 1.3 eV. However oxides with such values are rare. One of the most studied oxides to date as a photovoltaic active layer is the cuprous oxide Cu2O. Its band…
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…
The excellent optoelectronic properties, straightforward synthesis, and robust material stability of quasi-2D metal halide perovskites have made them a hot research topic for optoelectronic devices. In layered organic-inorganic perovskites,…
Metal-halide perovskites (MHPs) have exciting optoelectronic properties and are under investigation for various applications, such as photovoltaics, light-emitting diodes, and lasers. An essential step towards exploiting the full potential…
Photo- and charge-carrier induced ion migration is a major challenge when utilizing metal halide perovskite semiconductors for optoelectronic applications. For mixed iodide/bromide perovskites, the compositional instability due to light- or…
Progress in the application of machine learning (ML) methods to materials design is hindered by the lack of understanding of the reliability of ML predictions, in particular for the application of ML to small data sets often found in…
The stability and performance of halide perovskite photovoltaic devices are critically limited by progressive defect generation and associated local non-radiative losses during operation. Self-healing of defects provides a promising pathway…
Cadmium telluride (CdTe), lead sulfide (PbS), and indium tin oxide (ITO) play crucial roles in various electronic applications where laser treatment enables precise modification of their distinctive electronic characteristics. This study…