Luminescence in crystalline organic materials: from molecules to molecular solids
Luminescent small, all‐organic molecules are of tremendous interest in materials and life
science applications. Nevertheless, targeted design requires a basic understanding of the …
science applications. Nevertheless, targeted design requires a basic understanding of the …
The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy
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 …
predicting electronic excitations in chemical compounds and materials. In the realm of …
Directed exciton transport highways in organic semiconductors
Exciton bandwidths and exciton transport are difficult to control by material design. We
showcase the intriguing excitonic properties in an organic semiconductor material with …
showcase the intriguing excitonic properties in an organic semiconductor material with …
Nuclear dynamics of singlet exciton fission in pentacene single crystals
Singlet exciton fission (SEF) is a key process for develo** efficient optoelectronic devices.
An aspect rarely probed directly, yet with tremendous impact on SEF properties, is the …
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
The photophysics of organic semiconductor (OSC) thin films or crystals has garnered
significant attention in recent years since a comprehensive theoretical understanding of the …
significant attention in recent years since a comprehensive theoretical understanding of the …
Exciton Dynamics in MoS2-Pentacene and WSe2-Pentacene Heterojunctions
We measured the exciton dynamics in van der Waals heterojunctions of transition metal
dichalcogenides (TMDCs) and organic semiconductors (OSs). TMDCs and OSs are …
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 …
field which during the last two decades has seen tremendous progress both in terms of …
Impact of heteroatoms and chemical functionalisation on crystal structure and carrier mobility of organic semiconductors
S Hutsch, F Ortmann - npj Computational Materials, 2024 - nature.com
The substitution of heteroatoms and the functionalisation of molecules are established
strategies in chemical synthesis. They target the precise tuning of the electronic properties of …
strategies in chemical synthesis. They target the precise tuning of the electronic properties of …
Modeling the electronic structure of organic materials: a solid-state physicist's perspective
Modeling the electronic and optical properties of organic semiconductors remains a
challenge for theory, despite the remarkable progress achieved in the last three decades …
challenge for theory, despite the remarkable progress achieved in the last three decades …
Accurate polarization-resolved absorption spectra of organic semiconductor thin films using first-principles quantum-chemical methods: Pentacene as a case study
Theoretical studies using clusters as model systems have been extremely successful in
explaining various photophysical phenomena in organic semiconductor (OSC) thin films. But …
explaining various photophysical phenomena in organic semiconductor (OSC) thin films. But …