中国科学院理化技术研究所马昌期团队报道了生物分子多位点钝化ZnO金属氧化物制备高效、高稳定性有机太阳能电池。相关研究成果于2024年4月8日发表在《中国化学》。

金属氧化物（MO）中的ZnO纳米粒子（NPs）被证明是应用于有机太阳能电池（OSCs）的重要电子传输层（ETL）。然而，本征缺陷、界面电荷复合和对活性层的催化行为，限制了ZnO纳米颗粒在高效和长期稳定OSCs中的应用。通常生物分子5’-单磷酸胞苷（CMP-OH）具有膦酸，其具有磷酸基团作为锚定基团的盐5’-一磷酸胞苷二钠盐（CMP-ONa），以及两种类似分子中的共轭末端官能团，在活性层的底部界面提供载体转移桥。

系统化的理论研究和表征已经发现CMP-OH对受体分子和ZnO纳米粒子的多位点配位。CMP类似分子的双侧排列阻碍了界面电荷复合并同时提高了电荷转移电势。不可避免的是，基于PM6:L8BO的OSCs与未修饰的ETL相比高出12%，获得了18.13%的效率。除了更高的效率外，基于CMP-OH的OSC器件在85°C下500小时的热稳定性显著提高，初始PCE为72%，2000小时的操作稳定性显著提高。

该项工作揭示了多锚定基团对MOs和单官能团对活性层的钝化机制，以优化高效和高度稳定OSCs的界面。

附：英文原文

Title: Multi-site Passivation of ZnO Metal Oxides via Biomolecules for Efficient and Highly Stable Organic Solar Cells

Author: Irfan Ismail, Maria Khalil, Xiaomei Gao, Xingze Chen, Muhammad Jawad, Rong Huang, Zhiyun Li, Emmanuel Acheampong Tsiwah, Wei-shi Li, Qun Luo, Chang-Qi Ma

Issue&Volume: 2024-04-08

Abstract: ZnO nanoparticles (nps) among metal oxide (MOs) are proven to be essential electron transporting layers (ETLs) applied in organic solar cells (OSCs). However, intrinsic defects, interfacial charge recombination, and catalytic behavior towards the active layer restrict the applications of ZnO nps for efficient and long-term stable OSCs. The commonly available biomolecule cytidine 5'-monophosphate (CMP-OH) with phosphonic acid, its salt cytidine 5'-monophosphate disodium salt (CMP-ONa) with a phosphate group as an anchoring group and conjugated terminal functional in both analogous molecules provide carrier transfer bridge at bottom interface of the active layer. Systematized theoretical investigations and characterizations have discovered the multi-site coordination of CMP-OH towards acceptor molecules and ZnO nps. The dual-side alignment of CMP analogous molecules hinders interfacial charge recombination and enhances charge transfer potential at once. Inevitably, PM6:L8-BO-based OSCs with modified ETL obtain 18.13% efficiency, 12% higher than that of unmodified nps. Besides higher efficiency, CMP-OH-based OSC devices illustrate remarkably improved thermal stability for 500 h at 85 °C with 72% of initial PCE and operation stability for 2000 h with 90.1% of initial PCE. This work reveals the passivation mechanism of multi-anchoring groups towards MOs and single-functional groups towards the active layer to optimize the interface for efficient and highly stable OSCs.

DOI: 10.1002/cjoc.202400093

Source: https://onlinelibrary.wiley.com/doi/full/10.1002/cjoc.202400093