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Updated: Jul 24, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Published on: May 27, 2020

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长联分子的电子粗粒度:非富勒烯受体的案例研究

Andriy Zhugayevych1, Kun-Han Lin1, Denis Andrienko1

  • 1Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.

The Journal of chemical physics
|July 10, 2023
PubMed
概括

电荷传输模型往往忽略了分子固体中的分子内电荷转移. 这项研究表明,最小的双轨道基础对于准确建模非富勒烯受体等材料至关重要,防止低估电荷载体的移动性.

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