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Modulation on Electrostatic Potential of Passivator for Highly Efficient and Stable Perovskite Solar Cells |
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| Authors: | Hang Su Jing Zhang Yingjie Hu Yuying Yao Xinxin Zheng Yutong She Binxia Jia Lili Gao Shengzhong Liu |
| Affiliation: | 1. Laboratory of Applied Surface and Colloid Chemistry, Ministry of Education, Shaanxi Key Laboratory for Advanced Energy Devices, Shaanxi Engineering Lab for Advanced Energy Technology, Institute for Adv. Energy Mater., School of Materials Science and Engineering, Shaanxi Normal University, Xi'an, Shaanxi, 710119 China Dalian National Laboratory for Clean Energy, iChEM, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, 116023 China Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, No.19(A) Yuquan Road, Shijingshan District, Beijing, 100049 China;2. Laboratory of Applied Surface and Colloid Chemistry, Ministry of Education, Shaanxi Key Laboratory for Advanced Energy Devices, Shaanxi Engineering Lab for Advanced Energy Technology, Institute for Adv. Energy Mater., School of Materials Science and Engineering, Shaanxi Normal University, Xi'an, Shaanxi, 710119 China |
| Abstract: | 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. |
| Keywords: | defects electrostatic potential passivation perovskites solar cells |