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View article: Predicting Molecular Ordering in Deposited Molecular Films
Predicting Molecular Ordering in Deposited Molecular Films Open
Thin films of molecular materials are commonly employed in organic light‐emitting diodes, field‐effect transistors, and solar cells. The morphology of these organic films is shown to depend heavily on the processing used during manufacturi…
View article: 29‐3: Improving Lateral Leakage Current in OLED Pixels by New Hole Transport Materials: Resolving the Crosstalk Issue
29‐3: Improving Lateral Leakage Current in OLED Pixels by New Hole Transport Materials: Resolving the Crosstalk Issue Open
State‐of‐the‐art displays based on organic light emitting diodes for smartphones and tablets consist of side‐by‐side arrangements of red, green, and blue sub‐pixels. In the blue emissive layer, fluorescent materials are used, whereas red a…
View article: 73‐4: The Value and Benefit of Multiscale Material Simulation for OLED R&D: Prediction and Validation of Triplet Emitter Orientation Yielding > 90% In‐plane Transition Dipole Orientation for Ir(ppy) <sub>3</sub> Derivatives
73‐4: The Value and Benefit of Multiscale Material Simulation for OLED R&D: Prediction and Validation of Triplet Emitter Orientation Yielding > 90% In‐plane Transition Dipole Orientation for Ir(ppy) <sub>3</sub> Derivatives Open
In order to fulfill the demand for ever‐improving OLED panel properties, material design has to adapt quickly. We propose multiscale material simulations as a tool to elucidate structure‐property relations guiding us towards materials with…
View article: Monitoring the Charge-Carrier-Occupied Density of States in Disordered Organic Semiconductors under Nonequilibrium Conditions Using Thermally Stimulated Luminescence Spectroscopy
Monitoring the Charge-Carrier-Occupied Density of States in Disordered Organic Semiconductors under Nonequilibrium Conditions Using Thermally Stimulated Luminescence Spectroscopy Open
sponsorship: R.S. would like to thank Tobias Meier for discussions regarding the correlated disorder model. The authors acknowledge funding through the EU Marie Sklodowska-Curie ITN TADF life grant (Grant Agreement No. 812872) and the VW F…
View article: Monitoring the Charge-Carrier-Occupied Density of States in Disordered Organic Semiconductors under Nonequilibrium Conditions Using Thermally Stimulated Luminescence Spectroscopy
Monitoring the Charge-Carrier-Occupied Density of States in Disordered Organic Semiconductors under Nonequilibrium Conditions Using Thermally Stimulated Luminescence Spectroscopy Open
The dynamics of charge carriers in disordered organic semiconductors is inherently difficult to probe by spectroscopic methods. Thermally stimulated luminescence (TSL) is an approach that detects the luminescence resulting from the recombi…
View article: Benchmarking coarse-grained models of organic semiconductors via deep backmapping
Benchmarking coarse-grained models of organic semiconductors via deep backmapping Open
The potential of mean force is an effective coarse-grained potential, which is often approximated by pairwise potentials. While the approximated potential reproduces certain distributions of the reference all-atom model with remarkable acc…
View article: Conductance Switching in Liquid Crystal-Inspired Self-Assembled Monolayer Junctions
Conductance Switching in Liquid Crystal-Inspired Self-Assembled Monolayer Junctions Open
We present the prototype of a ferroelectric tunnel junction (FTJ), which is based on a self-assembled monolayer (SAM) of small, functional molecules. These molecules have a structure similar to those of liquid crystals, and they are embedd…
View article: 66‐1: <i>Invited Paper:</i> Hole‐Transport Materials — Key Enablers for Future OLED Display Evolution
66‐1: <i>Invited Paper:</i> Hole‐Transport Materials — Key Enablers for Future OLED Display Evolution Open
This article gives a short review on current development fields of hole transport materials for organic light emitting diodes. A special focus is set on the paradigm shift observed by an increasing relevance to control panel performance pa…
View article: Molecular library of OLED host materials—Evaluating the multiscale simulation workflow
Molecular library of OLED host materials—Evaluating the multiscale simulation workflow Open
Amorphous small-molecule organic materials are utilized in organic light emitting diodes (OLEDs), with device performance relying on appropriate chemical design. Due to the vast number of contending materials, a symbiotic experimental and …
View article: Computer aided design of stable and efficient OLEDs
Computer aided design of stable and efficient OLEDs Open
Organic light emitting diodes (OLEDs) offer a unique alternative to traditional display technologies. Tailored device architecture can offer properties such as flexibility and transparency, presenting unparalleled application possibilities…
View article: Perspectives of Unicolored Phosphor‐Sensitized Fluorescence
Perspectives of Unicolored Phosphor‐Sensitized Fluorescence Open
Unicolored phosphor‐sensitized fluorescence (UPSF) is a dual emitting concept proposed for improving efficiencies and operational lifetimes of blue organic light emitting diodes (OLEDs). To overcome the limitations of the individual emitte…
View article: Anisotropic electron mobility studies on Cl2-NDI single crystals and the role of static and dynamic lattice deformations upon temperature variation
Anisotropic electron mobility studies on Cl2-NDI single crystals and the role of static and dynamic lattice deformations upon temperature variation Open
The anisotropic electron transport in the (001) plane of sublimation-grown Cl$_{2}$-NDI (naphthalene diimide) single crystals is analysed over a temperature range between 175 K and 300 K. Upon cooling from room temperature to 175 K the ele…
View article: Modeling of Organic Light Emitting Diodes: From Molecular to Device Properties
Modeling of Organic Light Emitting Diodes: From Molecular to Device Properties Open
The progress in modeling of charge transport in disordered organic semiconductors on various length scales, from atomistic to macroscopic, is reviewed. This includes evaluation of charge transfer rates from first principles, parametrizatio…