RESUMO
The lead-free double perovskite Cs2AgInCl6 is a potential candidate for LEDs, the photoluminescence performance of which is reinforced greatly by Mn doping. Here, we analyzed the geometric, electronic and photoluminescence properties of Mn-doped Cs2AgInCl6 by means of first-principle calculations. We found that in the interior of Cs2AgInCl6, the Mn dopant formed defect complexes by substituting an Ag atom and generating an Ag vacancy (MnAgVAg) owing to the charge balance and the weak distortion of the metal octahedra. The MnAgVAg defect introduced two defect bands in the forbidden gap, which was contributed predominantly by the 3d orbitals of the Mn2+ ions. The electron transition of the Mn2+ ions from the first excited state to the ground state, i.e., from 4T1 to 6A1 states, gives rise to the PL spectrum that is lower than the bandgap. Therefore, we show that the Mn dopant indeed reinforces the PL performance of Cs2AgInCl6 greatly and is beneficial for its use as an LED material.
RESUMO
III-V semiconductor nanowires are indispensable building blocks for nanoscale electronic and optoelectronic devices. However, solely relying on their intrinsic physical and material properties sometimes limits device functionalities to meet the increasing demands in versatile and complex electronic world. By leveraging the distinctive nature of the one-dimensional geometry and large surface-to-volume ratio of the nanowires, new properties can be attained through monolithic integration of conventional nanowires with other easy-synthesized functional materials. Herein, we combine high-crystal-quality III-nitride nanowires with amorphous molybdenum sulfides (a-MoSx) to construct III-nitride/a-MoSx core-shell nanostructures. Upon light illumination, such nanostructures exhibit striking spectrally distinctive photodetection characteristic in photoelectrochemical environment, demonstrating a negative photoresponsivity of -100.42 mA W-1 under 254 nm illumination, and a positive photoresponsivity of 29.5 mA W-1 under 365 nm illumination. Density functional theory calculations reveal that the successful surface modification of the nanowires via a-MoSx decoration accelerates the reaction process at the electrolyte/nanowire interface, leading to the generation of opposite photocurrent signals under different photon illumination. Most importantly, such polarity-switchable photoconductivity can be further tuned for multiple wavelength bands photodetection by simply adjusting the surrounding environment and/or tailoring the nanowire composition, showing great promise to build light-wavelength controllable sensing devices in the future.