D'Avino Gabriele, Muccioli Luca, Castet Frédéric, Poelking Carl, Andrienko Denis, Soos Zoltán G, Cornil Jérôme, Beljonne David
Laboratory for the Chemistry of Novel Materials, Université de Mons, 7000 Mons, Belgium.
J Phys Condens Matter. 2016 Nov 2;28(43):433002. doi: 10.1088/0953-8984/28/43/433002. Epub 2016 Sep 7.
This review summarizes the current understanding of electrostatic phenomena in ordered and disordered organic semiconductors, outlines numerical schemes developed for quantitative evaluation of electrostatic and induction contributions to ionization potentials and electron affinities of organic molecules in a solid state, and illustrates two applications of these techniques: interpretation of photoelectron spectroscopy of thin films and energetics of heterointerfaces in organic solar cells.
本综述总结了目前对有序和无序有机半导体中静电现象的理解,概述了为定量评估静电和感应对固态有机分子电离势和电子亲和能的贡献而开发的数值方案,并举例说明了这些技术的两个应用:薄膜光电子能谱的解释以及有机太阳能电池中异质界面的能量学。