Concepedia

N-Doping improves charge transport and morphology in the organic non-fullerene acceptor O-IDTBR

Alexandra F. Paterson, Ruipeng Li, Anastasia Markina, Leonidas Tsetseris, Sky Marie Macphee, Hendrik Faber, Abdul‐Hamid Emwas, Julianna Panidi, Helen Bristow, Andrew Wadsworth,

Journal of Materials Chemistry C · 2021 · 26 citations · 52 references

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Abstract

Charge transport in organic non-fullerene acceptor n-type organic transistors is improved by synergistic doping effects and morphological changes.

References

52

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 23.1K citations

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GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Berk Hess, Carsten Kutzner, David van der Spoel et al. · Journal of Chemical Theory and Computation · 2008 · 16K citations · Full text

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GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

Sander Pronk, Szilárd Páll, Roland Schulz et al. · Bioinformatics · 2013 · 7.6K citations · Full text

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