Charge transport in molecular materials: An assessment of computational methods
The booming field of molecular electronics has fostered a surge of computational research
on electronic properties of organic molecular solids. In particular, with respect to a …
on electronic properties of organic molecular solids. In particular, with respect to a …
Toward design of novel materials for organic electronics
Materials for organic electronics are presently used in prominent applications, such as
displays in mobile devices, while being intensely researched for other purposes, such as …
displays in mobile devices, while being intensely researched for other purposes, such as …
Organic molecules with inverted gaps between first excited singlet and triplet states and appreciable fluorescence rates
One recent proposal for designing state-of-the-art emissive materials in organic light-
emitting diodes (OLEDs) is the principle of thermally activated delayed fluorescence (TADF) …
emitting diodes (OLEDs) is the principle of thermally activated delayed fluorescence (TADF) …
Photoconductivity in metal–organic framework (MOF) thin films
X Liu, M Kozlowska, T Okkali, D Wagner… - Angewandte Chemie …, 2019 - Wiley Online Library
Photoconductivity is a characteristic property of semi‐conductors. Herein, we present a
photo‐conducting crystalline metal–organic framework (MOF) thin film with an on–off …
photo‐conducting crystalline metal–organic framework (MOF) thin film with an on–off …
Conductance photoswitching of metal–organic frameworks with embedded spiropyran
S Garg, H Schwartz, M Kozlowska… - Angewandte Chemie …, 2019 - Wiley Online Library
Conductive metal–organic frameworks (MOFs) as well as smart, stimuli‐responsive MOF
materials have attracted considerable attention with respect to advanced applications in …
materials have attracted considerable attention with respect to advanced applications in …
Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics
G D'Avino, L Muccioli, F Castet… - Journal of Physics …, 2016 - iopscience.iop.org
This review summarizes the current understanding of electrostatic phenomena in ordered
and disordered organic semiconductors, outlines numerical schemes developed for …
and disordered organic semiconductors, outlines numerical schemes developed for …
The many facets of molecular orientation in organic optoelectronics
A Hofmann, M Schmid, W Brütting - Advanced Optical Materials, 2021 - Wiley Online Library
Over the years, organic optoelectronics have evolved into a mature technology with a wide
range of applications. Their building blocks, namely organic semiconductors, are distinctly …
range of applications. Their building blocks, namely organic semiconductors, are distinctly …
Workflow engineering in materials design within the battery 2030+ project
J Schaarschmidt, J Yuan, T Strunk… - Advanced Energy …, 2022 - Wiley Online Library
In recent years, modeling and simulation of materials have become indispensable to
complement experiments in materials design. High‐throughput simulations increasingly aid …
complement experiments in materials design. High‐throughput simulations increasingly aid …
Modeling of organic light emitting diodes: From molecular to device properties
P Kordt, JJM Van Der Holst, M Al Helwi… - Advanced Functional …, 2015 - Wiley Online Library
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 …
various length scales, from atomistic to macroscopic, is reviewed. This includes evaluation of …
On–off conduction photoswitching in modelled spiropyran-based metal-organic frameworks
M Mostaghimi, H Pacheco Hernandez… - Communications …, 2023 - nature.com
Materials with photoswitchable electronic properties and conductance values that can be
reversibly changed over many orders of magnitude are highly desirable. Metal-organic …
reversibly changed over many orders of magnitude are highly desirable. Metal-organic …