物理学进展

物理学进展 ›› 2024, Vol. 44 ›› Issue (3): 112-122.doi: 10.13725/j.cnki.pip.2024.03.002

• • 上一篇    

单线态裂分中间态的理论研究进展

  

  1. 1. 南京大学物理学院, 南京 210093; 2. 南京大学南通材料工程技术研究院，南通 226001 
  • 出版日期:2024-06-20 发布日期:2024-06-19
  • 基金资助:
    自然科学基金 (Grant NOs. 22225305)、 重点研发 (2022YFB3206900) 、南通市民生计划项目 (MS22022066)

Theoretical Insights into the Triplet-Pair State of Singlet Fissio

  1. 1. School of Physics, Nanjing University, Nanjing 210093; 2. Nantong Institute of Material Engineering Technology, Nanjing University, Nantong 226001
  • Online:2024-06-20 Published:2024-06-19

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摘要：

单线态裂分是指有机材料在光激发后，从一个单重态激子转变为两个三重态激子的光物理 过程。该过程有望提高光电转换效率，因而受到了广泛的关注。研究发现单线态裂分中存在一个 关键的中间态，而如何构建中间态的波函数则是重要的挑战。本文着重介绍了双激发态波函数构 建的两类理论模型，而后讨论了振动、轨道和自旋相互作用对中间态形成和解离的影响。最后总 结了进一步的理论研究将面临的挑战。 

关键词: 单线态裂分, 双激发态, 电子态耦合, 交换相关能

Abstract:

Singlet fission is a photophysical process in organic materials where a photoexcited singlet exciton splits into two triplet excitons. This process has gained a lot of interest in the past decade for enhancing the efficiency of photovoltaic conversion. Precious work identified a crucial intermediate state in singlet fission, and the construction of the wave function for this correlated triplet-pair state poses a significant challenge. This article serves as a comprehensive introduction to theoretical models designed for constructing the wave function of the correlated triplet-pair. Subsequently, we delve into an exploration of the intricate effects of vibrational, orbital, and spin interactions on the formation and dissociation of the intermediate state. Finally, we conclude with a succinct summary of the challenges anticipated to shape the landscape of future theoretical research in this field.

Key words: singlet fission, correlated triplet-pair state, electronic coupling, triplet-triplet exchange interaction

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