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Research data supporting "Reducing dynamic disorder in small molecule organic semiconductors by suppressing large-amplitude thermal motions"


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Type

Dataset

Change log

Authors

Illig, Steffen 
Eggeman, Alexander S. 
Troisi, Alessandro 
Jiang, Lang 
Warwick, Chris 

Description

Electron diffraction data is either presented as raw data or converted into txt without any corrections. Files to start the Molecular Dynamics Simulations for TIPS-P and diF-TESADT are provided. We used the MM3 force field. Transistor Characteristics and SKPM scan of rubrene is provided as measured Source Code to run the simulations with exmaple input files are provieded Thin-film structure of TMTES-P as .cif file

Version

Software / Usage instructions

txt, cif, raw, xyz, key

Keywords

Electron Diffraction, TEM Simulation, MD Simulation, Transistor Characteristics

Publisher

University of Cambridge
Sponsorship
This work was supported by the EPSRC [research grant number 312483], Royal Society, Winton Programme for the Physics of Sustainability, Cambridge Home and EU scholarship scheme.
Relationships
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