A Theoretical Study to Investigate the Impact of Bilayer Interfacial Modification in Perovskite Solar Cell

Abstract

The interfacial defects or imperfections in the multilayer perovskite solar cells (PSCs) are detrimental for efficient and stable devices. To produce highly efficient and stable PSCs, a bilayer between the interfaces of electron‐transport material/perovskite and perovskite/hole‐transport material can be useful for suppressing recombinations at these interfaces. To passivate the interfacial defects at the perovskite/SnO2 and perovskite/Spiro‐OMeTAD for three absorber materials (CsPbI3, FAPbI3, and Cs0.05(FA0.83MA0.17)0.95Pb(I0.83Br0.17)3), a thin layer of WO3 and poly‐bathocuproine interfacial layer is explored using solar cell capacitance simulation in 1D. The optimized device photovoltaic performances significantly improve using bilayers. The power conversion efficiency for the FAPbI3‐based PSCs in bilayer configuration is more than 12% as compared to pristine, whereas open‐circuit voltage is improved by over 13%. The enhancement in device performance is attributed to the reduction of interfacial defects at both the electron transport layer/perovskite and perovskite/hole transport layer interfaces. The proposed interface modification strategy provides a novel approach for fabricating efficient perovskite devices.

Theoretical Insights of Degenerate ZrS2 as a New Buffer for Highly Efficient Emerging Thin‐Film Solar Cells

“…SCAPS-1D is a well-known simulation software used to analyze the performance of various thin-film solar cells such as CdTe, CIGS, CZTS, perovskites, etc. [39][40][41] It was developed by Burgelman et al at the Department of Electronics and Information System of the Gent University, Belgium. [42] Solar cell performance can be investigated for up to seven layers by varying the essential parameters of each layer, including bandgap, absorption coefficient, affinity, thickness, density of states, permittivity, carrier concentration, various defects, mobility of electrons and holes, etc.…”

Progress, challenges, and perspectives on polymer substrates for emerging flexible solar cells: A holistic panoramic review

“…The ultra‐thin layers between which the perovskite is stacked have two different electron affinities and ionization potentials. The layer with low electron affinity and ionization potential serves as hole transporting materials (HTLs), while the layer with high electron affinity and ionization act as electron transporting material 274–276 . The HTL and ETL layer works as an electron‐blocking and hole‐blocking layer that prevents electron flow and release of holes to the front electrode 277 .…”

“…The layer with low electron affinity and ionization potential serves as hole transporting materials (HTLs), while the layer with high electron affinity and ionization act as electron transporting material. [274][275][276] The HTL and ETL layer works as an electron-blocking and hole-blocking layer that prevents electron flow and release of holes to the front electrode. 277 The typical examples of hole-transporting layers are Spiro-OMeTAD, P3HT, CuI, NiO, CuSCN, and 2D materials such as MoS 2 .…”

Unraveling the Potential Pathways for Improved Performance of EDA0.01(GA0.06(FA0.8Cs0.2)0.94)0.98SnI2Br‐Based Solar Cells

“…Additionally, in the literature, several PSCs have also been successfully modeled for a variety of applications. [41][42][43][44] In this article, our objective is to provide the fundamental physics of the selected structure, along with the pathways of the performance improvement. To achieve this, we have incorporated absorption and recombination models, as well as various electrical parameters, into our simulation tool.…”