Theoretical study on the exciton dynamics of coherent excitation energy transfer in the phycoerythrin 545 light-harvesting complex

doi:10.1088/1674-1056/ac0bad

中国物理B ›› 2022, Vol. 31 ›› Issue (1): 18201-018201.doi: 10.1088/1674-1056/ac0bad

Theoretical study on the exciton dynamics of coherent excitation energy transfer in the phycoerythrin 545 light-harvesting complex

Xue-Yan Cui(崔雪燕)¹, Yi-Jing Yan(严以京)², and Jian-Hua Wei(魏建华)^1,†

1 Department of Physics&Beijing Key Laboratory of Optoelectronic Functional Materials and Micro-nano Devices, Renmin University of China, Beijing 100872, China;
2 Hefei National Laboratory for Physical Sciences at the Microscale&Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, China

收稿日期:2021-04-06 修回日期:2021-05-27 接受日期:2021-06-16 出版日期:2021-12-03 发布日期:2021-12-14
通讯作者: Jian-Hua Wei E-mail:wjh@ruc.edu.cn
基金资助:
This work was supported by the Natural Science Foundation of China (Grant Nos. 11774418 and 11374363). The computing resources are provided by the High Performance Computing Physics Laboratory at Renmin University of China.

Theoretical study on the exciton dynamics of coherent excitation energy transfer in the phycoerythrin 545 light-harvesting complex

Xue-Yan Cui(崔雪燕)¹, Yi-Jing Yan(严以京)², and Jian-Hua Wei(魏建华)^1,†

1 Department of Physics&Beijing Key Laboratory of Optoelectronic Functional Materials and Micro-nano Devices, Renmin University of China, Beijing 100872, China;
2 Hefei National Laboratory for Physical Sciences at the Microscale&Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, China

Received:2021-04-06 Revised:2021-05-27 Accepted:2021-06-16 Online:2021-12-03 Published:2021-12-14
Contact: Jian-Hua Wei E-mail:wjh@ruc.edu.cn
Supported by:
This work was supported by the Natural Science Foundation of China (Grant Nos. 11774418 and 11374363). The computing resources are provided by the High Performance Computing Physics Laboratory at Renmin University of China.

摘要/Abstract

摘要： The experimental observation of long-lived quantum coherence in the excitation energy transfer (EET) process of the several photosynthetic light-harvesting complexes at low and room temperatures has aroused hot debate. It challenges the common perception in the field of complicated pigment molecular systems and evokes considerable theoretical efforts to seek reasonable explanations. In this work, we investigate the coherent exciton dynamics of the phycoerythrin 545 (PE545) complex. We use the dissipation equation of motion to theoretically investigate the effect of the local pigment vibrations on the population transfer process. The result indicates that the realistic local pigment vibrations do assist the energy transmission. We demonstrate the coherence between different pigment molecules in the PE545 system is an essential ingredient in the EET process among various sites. The coherence makes the excitation energy delocalized, which leads to the redistribution of the excitation among all the chromophores in the steady state. Furthermore, we investigate the effects of the complex high-frequency spectral density function on the exciton dynamics and find that the high-frequency Brownian oscillator model contributes most to the exciton dynamic process. The discussions on the local pigment vibrations of the Brownian oscillator model suggest that the local heterogeneous protein environments and the effects of active vibration modes play a significant role in coherent energy transport.

关键词: exciton dynamics, light-harvesting complex, quantum coherence

Abstract: The experimental observation of long-lived quantum coherence in the excitation energy transfer (EET) process of the several photosynthetic light-harvesting complexes at low and room temperatures has aroused hot debate. It challenges the common perception in the field of complicated pigment molecular systems and evokes considerable theoretical efforts to seek reasonable explanations. In this work, we investigate the coherent exciton dynamics of the phycoerythrin 545 (PE545) complex. We use the dissipation equation of motion to theoretically investigate the effect of the local pigment vibrations on the population transfer process. The result indicates that the realistic local pigment vibrations do assist the energy transmission. We demonstrate the coherence between different pigment molecules in the PE545 system is an essential ingredient in the EET process among various sites. The coherence makes the excitation energy delocalized, which leads to the redistribution of the excitation among all the chromophores in the steady state. Furthermore, we investigate the effects of the complex high-frequency spectral density function on the exciton dynamics and find that the high-frequency Brownian oscillator model contributes most to the exciton dynamic process. The discussions on the local pigment vibrations of the Brownian oscillator model suggest that the local heterogeneous protein environments and the effects of active vibration modes play a significant role in coherent energy transport.

Key words: exciton dynamics, light-harvesting complex, quantum coherence

中图分类号: (Computational modeling; simulation)

82.20.Wt

82.45.Tv (Bioelectrochemistry)

Xue-Yan Cui(崔雪燕), Yi-Jing Yan(严以京), and Jian-Hua Wei(魏建华). Theoretical study on the exciton dynamics of coherent excitation energy transfer in the phycoerythrin 545 light-harvesting complex[J]. 中国物理B, 2022, 31(1): 18201-018201.

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Theoretical study on the exciton dynamics of coherent excitation energy transfer in the phycoerythrin 545 light-harvesting complex

Theoretical study on the exciton dynamics of coherent excitation energy transfer in the phycoerythrin 545 light-harvesting complex

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