Modulation on Electrostatic Potential of Passivator for Highly Efficient and Stable Perovskite Solar Cells

• Published in: Advanced functional materials Vol. 33; no. 34
• Main Authors: Su, Hang, Zhang, Jing, Hu, Yingjie, Yao, Yuying, Zheng, Xinxin, She, Yutong, Jia, Binxia, Gao, Lili, Liu, Shengzhong (Frank)
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc 01.08.2023
• Subjects: Bonding; Charge distribution; Commercialization; Controllability; Defects; electrostatic potential; Materials science; Modulation; Optimization; passivation; Passivity; Perovskites; Photovoltaic cells; Solar cells
• ISSN: 1616-301X; 1616-3028
• DOI: 10.1002/adfm.202213123

The perovskite layer contains a large number of charged defects that seriously impair the efficiency and stability of perovskite solar cells (PSCs), thus it is essential to develop an effective passivation strategy to heal them. Based on theoretical calculations, it is found that enhancing the electrostatic potential of passivators can improve passivation effect and adsorption energy between charged defects and passivators. Herein, an electrostatic potential modulation (EPM) strategy is developed to design passivators for highly efficient and stable PSCs. With the EPM strategy, 1‐phenylethylbiguanide (PEBG) and 1‐phenylbiguanide (PBG) are designed. It is found that the charge distribution and electrostatic potential of phenyl‐ and phenylethyl‐ substituent on the biguanide are significantly enhanced. The N atom directly bonding to the phenyl group shows larger positive charge than that bonding to the phenylethyl group. The modulated electrostatic potential makes PBG bind stronger with the defects on perovskite surface. Based on the effective passivation of EPM, a champion efficiency of 24.67% is realized and the device retain 91.5% of its initial PCE after ≈1300 h. The promising EPM strategy, which provides a principle of passivator design and allows passivation to be controllable, may advance further optimization and application of perovskite solar cells toward commercialization. An electrostatic potential modulation (EPM) strategy is developed to enhance the interaction between the passivators and defects in FAPbI3 film. Stable perovskite solar cells (PSCs) with a champion power conversion efficiency (PCE) of 24.67% are obtained based on the passivation of 1‐Phenylbiguanide hydrochloride (PBGCl) with an enlarged electrostatic potential.