Trap-Door-Like Irreversible Photoinduced Charge Transfer in a Donor–Acceptor Complex,The Journal of Physical Chemistry Letters

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Trap-Door-Like Irreversible Photoinduced Charge Transfer in a Donor–Acceptor Complex
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2018-06-11 00:00:00 , DOI: 10.1021/acs.jpclett.8b01043
Carlos R. Medrano _{1,

2} , Cristián G. Sánchez _{1,

2}

Affiliation

For efficient conversion of light into useful energy sources, it is very important to study and describe the first steps of primary charge-transfer process in natural structures and artificial devices. The time scale of these processes in artificial photosynthetic and photovoltaic devices is on the order of femto- to picoseconds and involves vibronic coupling of electrons and nuclei and also nuclear alleviation to enhance charge separation. Here we present an atomistic description of the photoexcited electron dynamics in a noncovalently bonded system formed by an hydrogenated nanodiamond as donor and a perylene diimide as an acceptor. The complex shows extremely fast charge transfer, separation, and stabilization within 90 fs. This stabilization is purely electronic in nature. To the best of our knowledge, these results show for the first time that it is possible to stabilize charge without polaron formation or nuclear relaxation, reaching a steady state enhanced by a pure electronic reorganization.

中文翻译：

陷阱-门类似的不可逆的光诱导电荷转移的捐助者-受体复合体中。

为了将光有效地转换为有用的能源，研究和描述自然结构和人造设备中的初次电荷转移过程的第一步非常重要。在人工光合作用和光伏设备中，这些过程的时间尺度约为飞秒至皮秒，涉及电子与原子核的振动耦合，以及核缓和作用，以增强电荷分离。在这里，我们介绍了由氢化纳米金刚石作为供体和a二酰亚胺作为受体形成的非共价键体系中光激发电子动力学的原子描述。该配合物显示出在90 fs内极快的电荷转移，分离和稳定。本质上，这种稳定化纯粹是电子的。据我们所知，

更新日期：2018-06-11

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