High‐Performance Perovskite Solar Cells via Simulation Interactive Technology

Abstract

CsPbBr3 film possesses high stability and easy manufacturing characteristics, rendering it attractive for applications in perovskite solar cells (PSCs). However, optical loss and energy level matching of different material layers are still the major factors, limiting the performance of PSCs. Herein, the finite element method (FEM) and density functional theory (DFT) calculations composed of simulation interaction technology are used to study the effects of different electron transport layer and hole transport layer materials on the optical performance of different PSC configurations. The effect of the charge transport layer (CTL) material and CsPbBr3 on the energy level matching and charge transport of the device is explained. The FEM simulation results show that inorganic CTL materials produce less parasitic absorption than the organic materials. The DFT calculation results give the microscopic design rules of the CTL material. In addition, PSCs with a light‐trapping structure are designed, which effectively suppressed surface reflection. Finally, through the screening of CTL materials and the design of advanced light‐trapping structures, the photocurrent of PSCs is increased by 69.8% (from 5.30 to 9.00 mA cm−2). This work provides a novel model for the screening of CTL materials for inorganic PSCs.

Multiscale Simulations Facilitate the Design of High‐Performance Perovskite Solar Cells

“…Because the absorption spectrum and reflection spectrum can only reflect the response of the device to light at a specific wavelength, but cannot quantify the light absorption efficiency of photovoltaic devices in the whole wavelength range, we use the average absorptivity and average reflectivity to quantify the light absorption and reflection performance of different CsPbBr x I 3Àx (0 ≤ x ≤ 3) all-inorganic PSCs in the wavelength range of 300-800 nm. [44,54,55] The average absorptivity of CsPbBr 3 , CsPbBr 2 I, CsPbBrI 2 , CsPbI 3 , and FCC CsPbBr 2 I all-inorganic PSCs in the wavelength range of 300-800 nm is 38.8%, 50.0%, 60.3%, 66.5%, 44.9%, respectively; the average reflectivity is 44.1%, 35.3%, 29.5%, 23.1% and 40.7%, respectively. To evaluate the photoelectric conversion performance of various all-inorganic PSCs, the photogenerated current J ph of the photosensitive layer, the reflection loss J R of the solar cell and the parasitic absorption of the inactive layer are also calculated (Figure 5c).…”

Dragon Mimic Shape Facilitate Ultrahigh‐Performance Flexible All‐Perovskite Tandem Solar Cells

“…The coupled wave equation theory in the FEM is a powerful tool for studying the optical properties of SCs. [55][56][57][58] The FEM used a discrete idea to separate the area to be solved into a finite combination of cells, that is, meshing, and the denser the meshing, the smaller the size of the cell area, and the more accurate the calculation results. Many PV researchers have used FEM to design and develop ultrahigh-performance SCs.…”

“…Many PV researchers have used FEM to design and develop ultrahigh-performance SCs. [56][57][58][59][60] In the simulation setup, we used the electromagnetic wave and frequency domain physics in the radio frequency (RF) module and set the boundary conditions such as light entrance port, scattering boundary condition, periodic boundary condition, perfectly matched layer, ideal electrical conductor, etc. The optical constants of the materials of each layer were input by means of interpolation functions.…”

Effects of MgF2 anti-reflection coating on optical losses in metal halide perovskite solar cells

“…To mitigate reflection loss, an AR layer with an RI between that of air and the glass substrate can be inserted at the interface. Various dielectrics and polymers have been adopted as AR materials, including MgF 2 (n = 1.38), SiO 2 (n = 1.46), Al 2 O 3 (n = 1.65), polydimethylsiloxane (PDMS, n = 1.43), and polymethylmethacrylate (PMMA, n = 1.5), by designing complex process and structures to reduce reflective losses and maximize incident light utilization [27][28][29][30][31]. Among these alternatives, MgF 2 is a widely accepted material for AR coatings because of its optimal RI value, simple fabrication process, and robust physical and chemical characteristics.…”