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Interfacial Energetics Reversal Strategy for Efficient Perovskite Solar Cells

Sheng Jiang, Shaobing Xiong, Zhongcheng Yuan, Yafang Li, Xiaomeng You, Hongbo Wu, Menghui Jia, Zhennan Lin, Zaifei Ma, Yu‐Ning Wu, Ye‐Feng Yao, Xianjie Liu, Junhao Chu, Zhenrong Sun, Mats Fahlman, Henry J. Snaith, Qinye Bao

2025Advanced Materials15 citationsDOI

Abstract

Abstract Reducing heterointerface nonradiative recombination is a key challenge for realizing highly efficient perovskite solar cells (PSCs). Motivated by this, a facile strategy is developed via interfacial energetics reversal to functionalize perovskite heterointerface. A surfactant molecule, trichloro[3‐(pentafluorophenyl)propyl]silane (TPFS) reverses perovskite surface energetics from intrinsic n‐type to p‐type, evidently demonstrated by ultraviolet and inverse photoelectron spectroscopies. The reconstructed perovskite surface energetics match well with the upper deposited hole transport layer, realizing an exquisite energy level alignment for accelerating hole extraction across the heterointerface. Meanwhile, TPFS further diminishes surface defect density. As a result, this cooperative strategy leads to greatly minimized nonradiative recombination. PSCs achieve an impressive power conversion efficiency of 25.9% with excellent reproducibility, and a nonradiative recombination‐induced qV oc loss of only 57 meV, which is the smallest reported to date in n‐i‐p structured PSCs.

Topics & Concepts

Perovskite (structure)Materials scienceEnergeticsRecombinationEnergy conversion efficiencyDensity functional theorySilaneChemical physicsLayer (electronics)OptoelectronicsNanotechnologyChemical engineeringComputational chemistryThermodynamicsChemistryPhysicsComposite materialBiochemistryGeneEngineeringPerovskite Materials and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films