Dopamine Dopes the Performance of Perovskite Solar Cells

IF 27.4 1区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Fatemeh Ansari, Likai Zheng, Lukas Pfeifer, Felix T. Eickemeyer, Shaik Mohammed Zakeeruddin, Nikolaos Lempesis, Virginia Carnevali, Andrea Vezzosi, Vladislav Sláma, Tristan Georges, Ummugulsum Gunes, Lyndon Emsley, Mohammad Khaja Nazeeruddin, Ursula Rothlisberger, Paul J. Dyson, Michael Grätzel
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Abstract

The electron transport layer (ETL) is a crucial component of perovskite solar cells (PSCs) as it greatly influences their photovoltaic performance. Among various currently used ETL materials, SnO₂ stands out due to its unique advantages, including low-temperature fabrication and rapid electron extraction capability and excellent energy match of its conduction band edge with that of the commonly used perovskite formulations. However, the currently employed SnO₂ layers contain surface defects, such as hydroxyl groups and oxygen vacancies that impair the desired growth of highly crystalline and defect less perovskite films during solution processing of n-i-p type PSCs reducing their power conversion efficiency (PCE) and stability. Here, a self-assembled monolayer (SAM) is introduced of dopamine hydrochloride (DACl) on the SnO2 film, whose catechol moiety adheres strongly to the SnO2 surface, while its methylammonium groups template the growth of the perovskite layer. Introducing the dopamine SAM at the interface between the ETL and the perovskite increases substantially the solar-to-electric PCE while greatly enhancing the PSC stability. This findings demonstrate the surprising benefits of this well-known neurotransmitter for the photovoltaic performance of PSCs which this is rationalized here by DFT and ab initio molecular dynamics calculations.

Abstract Image

多巴胺增强钙钛矿太阳能电池的性能
电子传输层(ETL)是钙钛矿太阳能电池(PSCs)的重要组成部分,对其光伏性能有重要影响。在目前使用的各种ETL材料中,SnO₂因其独特的优势而脱颖而出,包括低温制造和快速电子提取能力以及其导带边缘与常用钙钛矿配方的良好能量匹配。然而,目前使用的SnO₂层含有表面缺陷,如羟基和氧空位,这些缺陷影响了n-i-p型PSCs在溶液加工过程中高结晶和低缺陷钙钛矿薄膜的生长,降低了它们的功率转换效率(PCE)和稳定性。本文将盐酸多巴胺(DACl)自组装单层(SAM)引入到SnO2薄膜上,其儿茶酚部分强烈粘附在SnO2表面,而其甲基铵基团则模板钙钛矿层的生长。在ETL和钙钛矿之间的界面处引入多巴胺SAM,大大增加了太阳能-电力PCE,同时大大提高了PSC的稳定性。这一发现证明了这种众所周知的神经递质对psc光伏性能的惊人好处,这在这里通过DFT和从头算分子动力学计算得到了合理的解释。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Advanced Materials
Advanced Materials 工程技术-材料科学:综合
CiteScore
43.00
自引率
4.10%
发文量
2182
审稿时长
2 months
期刊介绍: Advanced Materials, one of the world's most prestigious journals and the foundation of the Advanced portfolio, is the home of choice for best-in-class materials science for more than 30 years. Following this fast-growing and interdisciplinary field, we are considering and publishing the most important discoveries on any and all materials from materials scientists, chemists, physicists, engineers as well as health and life scientists and bringing you the latest results and trends in modern materials-related research every week.
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