Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

Gabriele d'Avino (1) , Luca Muccioli (2, 3, 4) , Frédéric Castet (3) , Carl Poelking (5) , Denis Andrienko (5) , Zoltan G. Soos (6) , Jérôme Cornil (1) , David Beljonne (1)

1 Univ Mons, Lab Chem Novel Mat, Belgium
2 LCPO - Laboratoire de Chimie des Polymères Organiques
3 ISM - Institut des Sciences Moléculaires
4 Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
5 Max Planck Institute for Polymer Research
6 Princeton University

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.

Mots clés: organic semiconductors; organic photovoltaics; molecular thin films; electrostatic phenomena; DENSITY-FUNCTIONAL THEORY; HOT EXCITON DISSOCIATION; CHARGE-TRANSFER STATES; ELECTRONIC POLARIZATION; MOLECULAR-CRYSTALS; LOCALIZED CHARGE; SOLAR-CELLS; SUBSTITUTED OLIGOTHIOPHENES; INVERSE-PHOTOEMISSION; CONJUGATED POLYMERS

Domaines: Polymères

Gabriele d'Avino, Luca Muccioli, Frédéric Castet, Carl Poelking, Denis Andrienko, et al.. Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics. Journal of Physics: Condensed Matter, 2016, 28 (43), pp.Art. Nb. 433002. ⟨10.1088/0953-8984/28/43/433002⟩. ⟨hal-01416586⟩