Disorder-driven do** activation in organic semiconductors

A Fediai, A Emering, F Symalla… - Physical Chemistry …, 2020 - pubs.rsc.org
Conductivity do** of organic semiconductors is an essential prerequisite for many organic
devices, but the specifics of dopant activation are still not well understood. Using many-body …

De novo calculation of the charge carrier mobility in amorphous small molecule organic semiconductors

S Kaiser, T Neumann, F Symalla, T Schlöder… - Frontiers in …, 2021 - frontiersin.org
Organic semiconductors (OSC) are key components in applications such as organic
photovoltaics, organic sensors, transistors and organic light emitting diodes (OLED). OSC …

Systematic kMC study of doped hole injection layers in organic electronics

AD Özdemir, S Kaiser, T Neumann, F Symalla… - Frontiers in …, 2022 - frontiersin.org
Organic light emitting diodes (OLED) play an important role in commercial displays and are
promising candidates for energy-efficient lighting applications. Although they have been …

De Novo Simulation of Charge Transport through Organic Single-Carrier Devices

S Kaiser, NB Kotadiya, R Rohloff, A Fediai… - Journal of Chemical …, 2021 - ACS Publications
In amorphous organic semiconductor devices, electrons and holes are transported through
layers of small organic molecules or polymers. The overall performance of the device …

43‐3: Ab‐initio Simulation of Doped Injection Layers.

F Symalla, A Fediai, J Armleder… - … Symposium Digest of …, 2020 - Wiley Online Library
Optimization of doped injection layers in state‐of‐the‐art OLEDs via experimental trial&error
by tuning host‐dopant combinations/concentrations is time‐consuming and costly. We …

37‐3: Donor‐Acceptor Alignment and Charge Separation in Small Molecule Organic Semiconductors

A Fediai, T Neumann, F Symalla… - SID Symposium Digest …, 2024 - Wiley Online Library
Understanding complex molecular interactions in OLED materials such as donor‐acceptor
charge transfer are crucial for device efficiency. Utilizing simulation tools as a virtual …

28‐1: Invited Paper: Bottom‐Up OLED Development by Virtual Design: Systematic Elimination of Performance Bottlenecks Using a Microscopic Simulation Approach

T Neumann, F Symalla, T Strunk… - … Symposium Digest of …, 2022 - Wiley Online Library
The gap between computational chemistry and parametric device simulations limits the
potentially immense impact of computer models on OLED R&D. We present a review on a …

57‐3: Using Digital Twins of OLEDs to Quantify the Impact of Molecular Properties on Device Performance for Rational Design

T Neumann, T Strunk, A Feidai… - SID Symposium Digest …, 2023 - Wiley Online Library
The discovery of optimal combinations of chemicals for performant devices remains a
persisting challenge in OLED technology. We present a digital twin approach to identify …

[PDF][PDF] Doktors der Naturwissenschaften (Dr. rer. nat.)

MSS Kaiser - core.ac.uk
Organic semiconductors (OSCs) are a class of material based on organic molecules or
polymers with similar applications as inorganic semiconductors, eg as organic light-emitting …

Kinetic Monte-Carlo modelling of charge and exciton dynamics in phosphorescent organic light-emitting diodes

S Sanderson - 2021 - researchonline.jcu.edu.au
Stephen Sanderson studied the operation of phosphorescent organic light-emitting diodes
using kinetic Monte-Carlo simulation techniques combined with molecular dynamics …