Luminescence in crystalline organic materials: from molecules to molecular solids

J Gierschner, J Shi, B Milián‐Medina… - Advanced Optical …, 2021 - Wiley Online Library
Luminescent small, all‐organic molecules are of tremendous interest in materials and life
science applications. Nevertheless, targeted design requires a basic understanding of the …

[HTML][HTML] The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

D Golze, M Dvorak, P Rinke - Frontiers in chemistry, 2019 - frontiersin.org
The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …

[HTML][HTML] Directed exciton transport highways in organic semiconductors

K Müller, KS Schellhammer, N Gräßler… - Nature …, 2023 - nature.com
Exciton bandwidths and exciton transport are difficult to control by material design. We
showcase the intriguing excitonic properties in an organic semiconductor material with …

Nuclear dynamics of singlet exciton fission in pentacene single crystals

H Seiler, M Krynski, D Zahn, S Hammer… - Science …, 2021 - science.org
Singlet exciton fission (SEF) is a key process for developing efficient optoelectronic devices.
An aspect rarely probed directly, yet with tremendous impact on SEF properties, is the …

Cluster-Based Approach Utilizing Optimally Tuned TD-DFT to Calculate Absorption Spectra of Organic Semiconductor Thin Films

L Craciunescu, M Asbach, S Wirsing… - Journal of Chemical …, 2023 - ACS Publications
The photophysics of organic semiconductor (OSC) thin films or crystals has garnered
significant attention in recent years since a comprehensive theoretical understanding of the …

Exciton Dynamics in MoS2-Pentacene and WSe2-Pentacene Heterojunctions

PA Markeev, E Najafidehaghani, GF Samu, K Sarosi… - ACS …, 2022 - ACS Publications
We measured the exciton dynamics in van der Waals heterojunctions of transition metal
dichalcogenides (TMDCs) and organic semiconductors (OSs). TMDCs and OSs are …

Binding and electronic level alignment of π-conjugated systems on metals

A Franco-Cañellas, S Duhm, A Gerlach… - Reports on Progress …, 2020 - iopscience.iop.org
We review the binding and energy level alignment of π-conjugated systems on metals, a
field which during the last two decades has seen tremendous progress both in terms of …

[HTML][HTML] Modeling the electronic structure of organic materials: a solid-state physicist's perspective

C Cocchi, M Guerrini, J Krumland… - Journal of Physics …, 2022 - iopscience.iop.org
Modeling the electronic and optical properties of organic semiconductors remains a
challenge for theory, despite the remarkable progress achieved in the last three decades …

Conditions for electronic hybridization between transition-metal dichalcogenide monolayers and physisorbed carbon-conjugated molecules

J Krumland, C Cocchi - Electronic Structure, 2021 - iopscience.iop.org
Hybridization effects play a crucial role in determining the electronic properties of hybrid
inorganic/organic interfaces. To gain insight into these important interactions, we perform a …

Accurate polarization-resolved absorption spectra of organic semiconductor thin films using first-principles quantum-chemical methods: Pentacene as a case study

L Craciunescu, S Wirsing, S Hammer… - The journal of …, 2022 - ACS Publications
Theoretical studies using clusters as model systems have been extremely successful in
explaining various photophysical phenomena in organic semiconductor (OSC) thin films. But …