SnCl_(2)敏化的TiO_(2)表面对PbI_(2)粒子的诱导吸附  

The Induced Adsorption of PbI_(2)Particles on the SnCl_(2)-Sensitized TiO_(2) Surface

作　　者：王馨雨 许雄文[1,2] Wang Xinyu;Xu Xiongwen(School of Electric Power,South China University of Technology,Guangzhou 510640,China;Guangdong Province Key Laboratory of Efficient and Clean Energy Utilization,South China University of Technology,Guangzhou 510640,China)

机构地区：[1]华南理工大学电力学院,广州510640 [2]广东省高效清洁能源利用重点实验室华南理工大学,广州510640

出　　处：《化学学报》2024年第8期865-870,共6页Acta Chimica Sinica

基　　金：国家自然科学基金(No.52476073)资助。

摘　　要：近年来,钙钛矿电池因其性能高、造价低且柔性好的优点而获得了极大的关注和发展,但其薄膜制备工艺还不够成熟.本工作主要关注两步法沉积钙钛矿时Pb I_(2)晶种层的沉积.受银镜反应中Sn Cl_(2)敏化思想的启发,本工作提出采用Sn Cl_(2)敏化层来增加Pb I_(2)粒子在TiO_(2)基底上的吸附能力.为验证其可行性,首先通过分子动力学模拟Sn Cl_(2)敏化的TiO_(2)表面对Pb I_(2)粒子的诱导吸附,分析了Sn Cl_(2)、Pb I_(2)、TiO_(2)三者的相互结合能.模拟结果表明,SnCl_(2)与TiO_(2)及Pb I_(2)粒子都有较大的结合能,因此可以很好地提高Pb I_(2)粒子在TiO_(2)基底上的吸附能力.最后,通过Pb I_(2)的溶液沉积实验和表征也验证了SnCl_(2)敏化层对PbI_(2)薄膜沉积质量具有较好的改善作用.In recent years,perovskite solar cells have emerged as a bright star in the realm of renewable energy,capturing the attention of researchers and industry experts with their high conversion efficiencies,low costs,and exceptional flexibility.Despite these advantages,the Achilles'heel of perovskite solar cells lies in the delicate art of film preparation.The challenges inherent in this process,if not overcome,could potentially hinder the technology's march towards commercialization.This paper delves into a critical aspect of perovskite film formation-the deposition of the PbI_(2)seed layer in the two-step synthesis of perovskite materials.The seed layer,serving as the cornerstone for the growth of the perovskite lattice,plays a decisive role in the ultimate performance of the solar cell.Inspired by the role of SnCl_(2)in the silver mirror reaction,this paper pro-poses the use of an SnCl_(2)sensitization layer to enhance the adsorption capacity of PbI_(2)particles on TiO_(2) substrates.To vali-date this hypothesis,we conducted a series of molecular dynamics simulations.These simulations provided a microscopic perspective on the deposition process,contrasting the adsorption and deposition behaviors of PbI_(2)particles on pristine TiO_(2) surfaces with those on TiO_(2) surfaces pre-treated with SnCl_(2).The findings indicated that the substrate sensitized with SnCl_(2)could significantly reduce the energy of PbI_(2)particles during the deposition process,facilitating their adsorption and deposi-tion on the substrate.To further analyze the binding energies among SnCl_(2),PbI_(2),and TiO_(2),additional simulations focused on their interactions.These simulations confirmed that SnCl_(2)could act as an effective bridge,promoting a tighter bond between PbI_(2)and TiO_(2).Complementing the simulations,experimental validation was carried out through PbI_(2)solution deposition.The resulting films,analyzed using scanning electron microscopy(SEM)and X-ray diffraction(XRD),confirmed the positive impact of the SnCl_(2)sensitization

关 键 词：钙钛矿电池 薄膜 桥梁粒子 诱导吸附 

分 类 号：TM914.4[电气工程—电力电子与电力传动]