Excimer formation in zinc-phthalocyanine revealed using ultrafast electron diffraction

S Hammer, TL Britt, L Kremeyer, M Rödel, D Cai… - Proceedings of the …, 2024 - pnas.org
The formation of excited dimer states, so called excimers, is an important phenomenon in
many organic molecular semiconductor solid state aggregates. In contrast to Frenkel exciton …

Quantitative hole mobility simulation and validation in substituted acenes

D Vong, T Nematiaram, MA Dettmann… - The Journal of …, 2022 - ACS Publications
Knowledge of the full phonon spectrum is essential to accurately calculate the dynamic
disorder (σ) and hole mobility (μ h) in organic semiconductors (OSCs). However, most …

Insight into the effect of side chains on thermal transport of organic semiconductors

C Yang, W Wang, B Peng, W Ji, X Wang - Nanoscale, 2023 - pubs.rsc.org
Understanding the correlation mechanism of side chains on thermal transport of organic
semiconductors is crucial for functionalized organic electronics. In this study, phenyl and …

Anisotropic Phonon Bands in H-Bonded Molecular Crystals: The Instructive Case of α-Quinacridone

L Legenstein, L Reicht, T Kamencek, E Zojer - ACS Materials Au, 2023 - ACS Publications
Phonons play a crucial role in the thermodynamic and transport properties of solid materials.
Nevertheless, rather little is known about phonons in organic semiconductors. Thus, we …

Charge Transfer in Molecular Cocrystals: A Plane Wave vs Localized-Orbital View─ Structural Information Obtained from Calculated Raman and IR Phonons

F Biffoli, D Vanossi, E Venuti, T Salzillo… - The Journal of …, 2024 - ACS Publications
This article aims at laying the foundation for the development of electronic structure–property
relationships in the field of charge-transfer (CT) organic semiconductors by studying the low …

Singlet‐exciton optics and phonon‐mediated dynamics in oligoacene semiconductor crystals

JJP Thompson, D Muth, S Anhäuser… - Natural …, 2023 - Wiley Online Library
Organic semiconductor crystals stand out as an efficient, cheap, and diverse platform for
realizing optoelectronic applications. The optical response of these crystals is governed by a …

Generalized Einstein relation in disordered organic semiconductors: Influence of the acoustic phonons–charge carriers scattering

J Szmytkowski - Computational Materials Science, 2023 - Elsevier
In this work, we analyze the generalized Einstein relation for disordered organic
semiconductors with a non-equilibrium Druyvesteyn-type distribution function. The …

Bandlike charge transport and electron–phonon coupling in organic molecular crystals

BK Chang, M Bernardi - Journal of Physics: Condensed Matter, 2024 - iopscience.iop.org
Charge transport is important in organic molecular crystals (OMCs), where high carrier
mobilities are desirable for a range of applications. However, modeling and predicting the …

Local Rigidity by Flexibility: Unusual Design for Organic THz‐Device Materials

DJ Kim, IC Yu, M Jazbinsek, C Kim… - Advanced Optical …, 2023 - Wiley Online Library
Terahertz (THz) waves interact with molecular phonon vibrations of organic matter. When
designing organic THz‐device materials, conformational flexible groups (CFGs) are in most …

Microscopic modelling of phonon-mediated exciton propagation in organic semiconductors

JJP Thompson, E Malic - Ultrafast Phenomena and …, 2023 - spiedigitallibrary.org
The efficiency of optoelectronic devices, such as photovoltaics and sensors, are limited by
the speed and direction of exciton propagation in their constituent materials. Organic …