Marked Near-Infrared Response of 2D Ca₃Sn₂S₇ Chalcogenide Perovskite via Solid and Electronic Structure Engineering

Abstract

Developing high-performance photodetectors relies on the continuous innovation of photoelectric conversion materials.Here, we theoretically study a newly proposed photoelectric material based on the graphene-like two-dimensional (2D) Ca 3 Sn 2 S 7 chalcogenide perovskite by employing the macroscopic continuum device (MCD) model and the Shockley−Queisser limit (SQM) model. Based on these key properties quantum mechanically calculated, we compared the photoelectric response of Ca 3 Sn 2 S 7 perovskites by evaluating the dependence of photocurrents of different layered Ca 3 Sn 2 S 7 perovskites with film thicknesses and charge recombination rates (different recombination mechanisms). The optimized photocurrent losses from MCD simulations are smaller than 5% compared to the SQM currents, while the charge lifetime is longer than 10 −8 s and the bimolecular recombination rate constant is less than 1.0 × 10 −15 m 3 /s. Considering these effective measures to tune the charge recombination rates in experiments, our simulations predict superior IR detection performance when Ca 3 Sn 2 S 7 is used in a photodetector device based on the spectral short-circuit currents per unit wavelength. As a comparison, we further simulate the photoelectric performance of 2D phosphorene and tellurene and elucidate that the photocurrent losses of Ca 3 Sn 2 S 7 perovskites are smaller as a result of higher mobilities.

Low Trap Density Para-F Substituted 2D PEA 2 PbX 4 (X = Cl, Br, I) Single Crystals with Tunable Optoelectrical Properties and High Sensitive X-Ray Detector Performance

“…In addition, the common semiconductor materials used for X-ray detection have corresponding defects, including the following: GaAs, which has low resistivity and is challenging to prepare single crystals [8], and CdZnTe, which has high crystal preparation cost [9,10]. The excellent optoelectronic properties and elements adjustability of perovskite materials make them stand out among direct X-ray detectors and have attracted extensive attention from researchers [11][12][13][14][15][16].…”

Thermodynamic Conditions for the Nernstian Response of the Flat Band Potential of the Metal Oxide Semiconductor: A Theoretical Study

“…In this work, the numerical model we applied to investigate the pH dependence of U fb is our self-developed CDL model . In the continuum model, the semiconductor/electrolyte interface is divided into a series of grids. − The inner potential (ϕ) for every grid satisfies the Poisson equation, , in which ε 0 is the vacuum permittivity, ε is the relative dielectric constant of the space charge layer (ε SC ), the Helmholtz layer (ε H ), and the Gouy–Chapman layer (ε GC ), respectively. The charge density ρ­( x ) is expressed by where x is the distance from the semiconductor/electrolyte interface, N D + is the concentration of ionized donors in the semiconductor, and N site is the number of surface adsorption sites.…”

Lead-free all-inorganic halide double perovskite materials for optoelectronic applications: progress, performance and design

“…These key physical parameters derived by the first-principles methods can be employed in numerical simulations to predict the photovoltaic performance. [149][150][151][152][153][154] For instance, we calculated the current-voltage curves of Cs 2 CuSbCl 6 and Cs 4 CuSb 2 Cl 12 based on the SQM, as shown in Fig. 6, and the corresponding key parameters are listed in Table 3.…”