Cavity-Mediated Enhancement of the Energy Transfer in the Reduced Fenna–Matthews–Olson Complex,Journal of Chemical Theory and Computation

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Cavity-Mediated Enhancement of the Energy Transfer in the Reduced Fenna–Matthews–Olson Complex
Journal of Chemical Theory and Computation ( IF 5.7 ) Pub Date : 2024-08-27 , DOI: 10.1021/acs.jctc.4c00626
Luis E Herrera Rodríguez ₁ , Aarti Sindhu ₁ , Kennet J Rueda Espinosa ₁ , Alexei A Kananenka ₁

Affiliation

Strong light-matter interaction leads to the formation of hybrid polariton states and can alter the light-harvesting properties of natural photosynthetic systems without modifying their chemical structure. In the present study, we computationally investigate the effect of the resonant cavity on the efficiency and the rate of the population transfer in a quantum system coupled to the cavity and the dissipative environment. The parameters of the model system were chosen to represent the Fenna–Matthews–Olson natural light-harvesting complex reduced to the three essential sites. The dynamics of the total system was propagated using the hierarchical equations of motion. Our results show that the strong light-matter interaction can accelerate the population transfer process compared to the cavity-free case but at the cost of lowering the transfer efficiency. The transition to the strong coupling regime was found to coincide with the degeneracy of polariton eigenvalues. Our findings indicate the potential and the limit of tuning the energy transfer in already efficient natural light-harvesting systems.

中文翻译：

还原芬纳-马修斯-奥尔森复合体中空腔介导的能量转移增强

强烈的光与物质相互作用会导致混合极化子态的形成，并且可以改变自然光合作用系统的光捕获特性，而不改变其化学结构。在本研究中，我们通过计算研究了谐振腔对耦合到腔和耗散环境的量子系统中的效率和粒子转移速率的影响。选择模型系统的参数来代表芬纳-马修斯-奥尔森自然光采集综合体，简化为三个基本地点。整个系统的动力学是使用分层运动方程来传播的。我们的结果表明，与无腔情况相比，强光-物质相互作用可以加速群体转移过程，但代价是降低转移效率。发现向强耦合状态的转变与极化子特征值的简并性一致。我们的研究结果表明了在已经高效的自然光采集系统中调整能量传输的潜力和局限性。

更新日期：2024-08-27

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