Research data supporting "Chasing the “Killer” Phonon Mode for the Rational Design of Low-Disorder, High-Mobility Molecular Semiconductors"
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Change log
Authors
Schweicher, Guillaume
D’Avino, Gabriele
Ruggiero, Michael T
Harkin, David J
Broch, Katharina
Description
- Figure 1: OFET IV Curves and TLM
- Figure 2: INS and THz data
- Figure 3 & 4:
- Phonon mode index
- Frequency in the harmonic approximation (HO)
- Frequency beyond the HO (only few modes were corrected for ahnarmonic effects) 4-5. Standard deviation of site energies (in meV) 6-9. Standard deviation of transfer integrals (in meV)
- Standard deviation of vibrational coordinates transfer integrals (in Angstrom) Figure 5: Transient Localization Scenario mobility values
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Origin, Microsoft Excel
Keywords
charge transport, dynamic disorder, field‐effect transistors, molecular design, organic electronics, transient localization scenario
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Sponsorship
The authors gratefully acknowledge the ISIS neutron and muon source for beam time (TOSCA instrument). G.S. acknowledges postdoctoral fellowship support from the Wiener–Anspach Foundation and The Leverhulme Trust (Early Career Fellowship supported by the Isaac Newton Trust). D.J.H. acknowledges the EPSRC Centre for Doctoral Training in Plastic Electronics EP/G037515/1. G.L. thanks the support from the Royal Society (Newton Fellowship, NF151515). Financial support from the German Research Foundation (BR4869-1/1) is gratefully acknowledged (K.B.). The authors gratefully acknowledge support from the European Research Council (ERC, Synergy Grant 610115) and the Engineering and Physical Sciences Research Council (EPSRC, programme grant EP/M005143/1). M.T.R. and J.A.Z. thank the Engineering and Physical Sciences Research Council (EPSRC, programme grant EP/N022769/1), and computational resources via membership of the UK’s HEC Materials Chemistry Consortium (funded by the EPSRC, programme grant EP/L000202) and the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk). M.T.R. gratefully acknowledges the University of Vermont for startup support. The authors thank Nippon Kayaku for supplying C8-DNTT-C8. Y.H.G. thanks the Belgian National Fund for Scienti c Research (FNRS—Research Fellow PhD grant for A.R. and project BTBT no. 2.4565.11) and the Walloon Region (WCS project 1117306). The University of Reading’s Chemical Analysis Facility is acknowledged for access to the Bruker D8 Advance diffractometer. G.D. and S.F. thank S. Ciuchi, A. Girlando, and A. Brillante for useful discussions. G.D. acknowledges computational resources provided by GENCI-CINES/IDRIS.