单线态裂分中间态的理论研究进展OA北大核心
Theoretical Insights into the Triplet-Pair State of Singlet Fission
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.
Singlet fission is a photophysical process in organic materials where a photoex-cited 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 identi-fied 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 compre-hensive 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.
童磊;张春峰
南京大学物理学院,南京 210093南京大学物理学院,南京 210093||南京大学南通材料工程技术研究院,南通 226001
物理学
单线态裂分双激发态电子态耦合交换相关能
singlet fissioncorrelated triplet-pair stateelectronic couplingtriplet-triplet exchange interaction
《物理学进展》 2024 (003)
112-122 / 11
项目受到自然科学基金(Grant NOs.22225305)、重点研发(2022YFB3206900)和南通市民生计划项目支持(MS22022066).
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