In Silico Investigation of the Impact of Hole-Transport Layers on the Performance of CH3NH3SnI3 Perovskite Photovoltaic Cells

Abstract

Perovskite solar cells represent one of the recent success stories in photovoltaics. The device efficiency has been steadily increasing over the past years, but further work is needed to enhance the performance, for example, through the reduction of defects to prevent carrier recombination. SCAPS-1D simulations were performed to assess efficiency limits and identify approaches to decrease the impact of defects, through the selection of an optimal hole-transport material and a hole-collecting electrode. Particular attention was given to evaluation of the influence of bulk defects within light-absorbing CH3NH3SnI3 layers. In addition, the study demonstrates the influence of interface defects at the TiO2/CH3NH3SnI3 (IL1) and CH3NH3SnI3/HTL (IL2) interfaces across the similar range of defect densities. Finally, the optimal device architecture TiO2/CH3NH3SnI3/Cu2O is proposed for the given absorber layer using the readily available Cu2O hole-transporting material with PCE = 27.95%, FF = 84.05%, VOC = 1.02 V and JSC = 32.60 mA/cm2, providing optimal performance and enhanced resistance to defects.

Device modeling and numerical study of a double absorber solar cell using a variety of electron transport materials

“…The built-in voltage (V bi ) of solar cells is greatly influenced by the back contact work function (φ), and various materials' work functions result in varied series resistances with the cell's structural elements, which influence the cell's efficiency [ 17 ]. To evaluate how the work function of metal electrodes affects photovoltaic characteristics, a variety of materials having diverse work functions are studied, including Cu (4.7 eV), Fe (4.8 eV), Zn (4.9 eV), C (5.0 eV), Au (5.1 eV), W (5.22 eV), Pd (5.3 eV), Pt (5.65 eV), and Re (5.75 eV) [ 17 , 19 , [30] , [31] , [32] ]. Energy band graphs for multiple back contacts with the absorber are shown in Fig.…”

An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs2AgBiBr6 Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

“…[ 21–23 ] Other additives with the same group of lead (Pb) were thoroughly explored in order to address the existing deficit brought on by the presence of Pb in PSCs including tin (Sn) and germanium (Ge). [ 24–26 ] But Tin‐based SCs have some disadvantages of being oxidized from Sn 2+ to Sn 4+ when kept open to the air for a long time. [ 27 ] Because of these insecurities, other PSCs needed to be considered that can replace Pb 2+ ion containing a monovalent and trivalent ion mixed, such as Cs 2 AgBiBr 6 , [ 28 ] Cs 2 AgBiCl 6 , [ 29 ] (MA) 2 AgBiBr 6 [ 30 ] which are known as double perovskite SCs.…”

IR Spectroscopic Degradation Study of Thin Organometal Halide Perovskite Films

“…This is a result of the unique advantages of OMH perovskites such as the ease of fabrication, high cost-effectiveness, adjustable band gap, low recombination rate, high carrier mobility and high light absorption coefficients [ 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 ]. During the last decade PSCs have improved their efficiency noticeably, with the cell performance achieving efficiencies in excess of 25% [ 24 , 25 , 26 , 27 , 28 , 29 , 30 ]. Improving the performance of such devices requires advanced knowledge of charge transport and dynamics within the active layer, which are directly related to the device’s efficiency.…”