Robust Molecular Dipole-Enabled Defect Passivation and Control of Energy-Level Alignment for High-Efficiency Perovskite Solar Cells.

Angewandte Chemie
Bing WangZhiqun Lin

Abstract

The ability to passivate defects and modulate the interface energy-level alignment (IEA) is key to boost the performance of perovskite solar cells (PSCs). Herein, we report a robust route that simultaneously allows defect passivation and reduced energy difference between perovskite and hole transport layer (HTL) via the judicious placement of polar chlorine-terminated silane molecules at the interface. Density functional theory (DFT) points to effective passivation of the halide vacancies on perovskite surface by the silane chlorine atoms. An integrated experimental and DFT study demonstrates that the dipole layer formed by the silane molecules decreases the perovskite work function, imparting an Ohmic character to the perovskite/HTL contact. The corresponding PSCs manifest a nearly 20 % increase in power conversion efficiency over pristine devices and a markedly enhanced device stability. As such, the use of polar molecules to passivate defects and tailor the IEA in PSCs presents a promising platform to advance the performance of PSCs.

References

May 30, 2008·Accounts of Chemical Research·Georg HeimelJean-Luc Bredas
Dec 23, 2016·Nature Communications·Philip CaladoPiers R F Barnes
Jul 21, 2017·Nanotechnology·Uma PoudyalWenyong Wang
Dec 2, 2017·Nature Communications·Zhaolai ChenJinsong Huang
Nov 18, 2018·Chemical Reviews·Caleb C BoydMichael D McGehee
Mar 20, 2019·Journal of the American Chemical Society·Shuang YangJinsong Huang

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Citations

Sep 9, 2021·ACS Applied Materials & Interfaces·Caiyi ZhangLiyuan Han

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