Modeling of the effect of intentionally introduced traps on hole transport in single-crystal rubrene

Javier Dacuña, Amit Desai, Wei Xie, Alberto Salleo

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6 Scopus citations


Defects have been intentionally introduced in a rubrene single crystal by means of two different mechanisms: ultraviolet ozone (UVO) exposure and x-ray irradiation. A complete drift-diffusion model based on the mobility edge (ME) concept, which takes into account asymmetries and nonuniformities in the semiconductor, is used to estimate the energetic and spatial distribution of trap states. The trap distribution for pristine devices can be decomposed into two well defined regions: a shallow region ascribed to structural disorder and a deeper region ascribed to defects. UVO and x ray increase the hole trap concentration in the semiconductor with different energetic and spatial signatures. The former creates traps near the top surface in the 0.3-0.4 eV region, while the latter induces a wider distribution of traps extending from the band edge with a spatial distribution that peaks near the top and bottom interfaces. In addition to inducing hole trap states in the transport gap, both processes are shown to reduce the mobility with respect to a pristine crystal. © 2014 American Physical Society.
Original languageEnglish (US)
JournalPhysical Review B
Issue number24
StatePublished - Jun 5 2014
Externally publishedYes

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledged KAUST grant number(s): KUS-C1-015-21
Acknowledgements: This paper was based on work supported by the Center for Advanced Molecular Photovoltaics (Award No. KUS-C1-015-21), made by King Abdullah University of Science and Technology (KAUST). We would like to thank Professor Daniel Frisbie for providing the materials used in this work.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.


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