相关论文: Hopping mechanisms, photoluminescence studies towa…
The crossover between two different conduction mechanisms (variable range and small polaron hoppings) is probed utilizing a conjunction of thermally varying conductivity and impedance in polycrystalline Pr2NiTiO6 (PNT). A combination of…
X-ray diffraction pattern and Raman spectrum authenticate the monoclinic P21/n structure of polycrystalline Pr$_2$ZnMnO$_6$ (PZM) synthesized by the solid-state reaction technique. The X-ray photoemission spectrum suggests the existence of…
Combined first-principles and experimental investigations reveal the underlying mechanism responsible for a drastic change of the conductivity (by 10 orders of magnitude) following hydrogen annealing and UV-irradiation in a transparent…
Atomically thin circuits have recently been explored for applications in next-generation electronics and optoelectronics and have been demonstrated with two-dimensional lateral heterojunctions. In order to form true 2D circuitry from a…
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…
Organic--inorganic hybrid perovskites with giant piezoelectric responses, exemplified by TMCM-CdCl$_3$, represent a promising platform for flexible and environmentally friendly electromechanical materials. However, the microscopic origin of…
Perovskite SrTiO3 (STO) is an attractive photocatalyst for solar water splitting, but suffers from a limited photoresponse in the ultraviolet spectral range due to its wide band gap. By means of hybrid density functional theory…
The p-type surface conductivity of hydrogen-terminated diamond (HD) has opened up new possibilities for the development of diamond-based electronic devices. However, the origin of the persistent photoconductivity (PPC) observed in…
Owing to the versatility in their chemical and physical properties, transition metal perovskite oxides have emerged as a new category of highly efficient photocatalysts for photoelectrochemical water splitting. Here, to understand 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…
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…
Despite their puzzling vibrational characteristics that include strong signatures of anharmonicity and thermal disorder already around room temperature, halide perovskites exhibit favorable optoelectronic properties for applications in…
Like single perovskites, halide double perovskites (HDP) have truly emerged as efficient optoelectronic materials since they display superior stability and are free of toxicity. However, challenges still exist due to either wide and…
Hybrid-halide perovskite (HHP) films exhibit exceptional photo-electric properties. These materials are utilized for highly efficient solar cells and photoconductive technologies. Both ion migration and polarization have been proposed as…
Transient microscopy is of vital importance in understanding the dynamics of optical excited states in optoelectronic materials, as it allows for a direct visualization of the movement of energy carriers in space and time. Important…
Perovskite structure is one of the five symmetry families suitable for exhibiting topological insulator phase. However, none of the halides and oxides stabilizing in this structure exhibit the same. Through density functional calculations…
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…
Metal halide perovskite (MHP) optoelectronics may become a viable alternative to standard Si-based technologies, but the current lack of long-term stability precludes their commercial adoption. Exposure to standard operational stressors…
First-principles calculations of the mayenite-based oxide, [Ca12Al14O32]{2+}(2e-), reveal the mechanism responsible for its high conductivity. A detailed comparison of the electronic and optical properties of this material with those of the…
The origin of the very large piezoelectric response observed in the vicinity of the morphotropic phase boundary (MPB) in perovskite lead zirconate titanate and related systems has been under intensive studies. Polarization rotation ideas…