Engineering Cavity Singlet Fission in Rubrene

被引：13

作者：

Sun, Kewei ^{[1
,2
]}

Gelin, Maxim F. ^{[1
]}

Zhao, Yang ^{[2
]}

机构：

[1] Hangzhou Dianzi Univ, Sch Sci, Hangzhou 310018, Peoples R China

[2] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2022年 / 13卷 / 18期

关键词：

DYNAMICS; SIMULATION; STATES;

D O I：

10.1021/acs.jpclett.2c00801

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

By employing the numerically exact multiple Davydov D2ansatz, we studycavity-manipulated singletfission that is mediated by polaritonic conical intersections for bothone- and two-molecule systems. The population evolution of the TT state and the cavityphotons is carefully examined in search for a highfission efficiency via cavity engineering.Several interesting mechanisms have been uncovered, such as photon-assisted singletfission,system localization via a displaced photon state, and collective enhancement of thefissionefficiency for the two-molecule system. It is also found that the system localization process inthe two-molecule system differs substantially from that in the one-molecule system because ofthe appearance of a novel central polaritonic conical intersection in the two-molecule system. Ithas been demonstrated that the cavity-controlled singletfission process can be switched on andoffby controlling the average pumping photon number.

引用

页码：4090 / 4097

页数：8

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