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Metal halide perovskites quantum dots (MHPQDs) have aroused enormous interesting in the photovoltaic and photoelectric because of their marvelous properties and size characteristics. However, one of key problems that how to systematically…
Solar cells based on metal-halide perovskite absorber layers have resulted in outstanding photovoltaic devices with long non-radiative lifetimes as a crucial feature enabling high efficiencies. Long non-radiative lifetimes occur if the…
The migration motion of defects in metal halide perovskites quantum dots (MHPQDs) results in charge-carrier trapping become more complicated. We study two-step trapping mediated by mobile defects between the ground state of MHPQDs and a…
Optically active defects often play a crucial role in governing the light emission as well as the electronic properties of materials. Moreover, defect-mediated states in the mid-gap region can trap electrons, thus opening a path for the…
The unprecedented rise in power conversion efficiency of solar cells based on metal halide perovskites (MHPs) has led to enormous research effort to understand their photo-physical properties. In this paper, we review the progress in…
Entropy transfer in metal halide perovskites, characterized by significant lattice anharmonicity and low stiffness, underlies the remarkable properties observed in their optoelectronic applications, ranging from solar cells to lasers. The…
Halide perovskites exhibit slow rates of non-radiative electron-hole recombination upon illumination. Chu et al. [Sci. Adv. 6 7, eaaw7453 (2020)] use the results of first-principles simulations to argue that this arises from the nature of…
Anharmonicity and local disorder (polymorphism) are ubiquitous in perovskite physics, inducing various phenomena observed in scattering and spectroscopy experiments. Several of these phenomena still lack interpretation from first-principles…
Due to their excellent optical and electrical properties as well as versatile growth and fabrication processes, lead halide perovskites have been widely considered as promising candidates for green energy and opto-electronic related…
Lead-halide perovskites (LHPs) have shot to prominence as efficient energy conversion materials that can be processed using cost-effective fabrication methods. A widely-quoted reason for their exceptional performance is their ability to…
Layered halide perovskites have emerged as potential alternatives to three-dimensional halide perovskites due to their improved stability and larger material phase space, allowing fine-tuning of structural, electronic, and optical…
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…
Inelastic electron transfer being regarded as one of the potential mechanisms to explain the odorant recognition in the atomic-scale processes is still a matter of intense debate. Here, we propose multiphonon processes of electrons transfer…
Due to their exceptional photovoltaic properties, metal halide perovskites (MHPs) are extensively studied for their potential applications in solar cells. In recent years, the power conversion efficiencies of MHPs-based solar cells rapidly…
Defects in metal halide perovskites (MHP) are photosensitive, making the observer effect unavoidable when laser spectroscopy methods are applied. Photoluminescence (PL) bleaching and enhancement under light soaking and recovery in dark are…
We propose Auger-like process assisted by quantum defects in metal halide perovskite quantum dots, where a charge carrier in the ground state of the quantum dot is trapped by quantum defects, resulting in another charge carrier in defect is…
Quasi-two-dimensional (quasi-2D) metal halide perovskites exhibit rich phase heterogeneity that profoundly influences light-matter interactions and charge transport. However, the fundamental mechanisms governing carrier transfer across…
Positional polymorphism in solids refers to locally disordered unit cells that, on average, reproduce the high-symmetry structures observed in diffraction experiments. Standard theories of electron-phonon interactions fail to describe the…
We have developed a multi-scale model for organic-inorganic hybrid perovskites (HPs) that applies quantum mechanical (QM) calculations of small HP supercell models to large coarse-grained structures. With a mixed quantum-classical hopping…
Halide perovskites are known for their rich phase diagram and superior performance in diverse optoelectronics applications. The latter property is often attributed to the long electron-hole recombination time, whose underlying physical…