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

Javier Dacuña; Amit Desai; Wei Xie; Alberto Salleo

doi:10.1103/PhysRevB.89.245302

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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7 Scopus citations

Abstract

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 language	English (US)
Journal	Physical Review B
Volume	89
Issue number	24
DOIs	https://doi.org/10.1103/PhysRevB.89.245302
State	Published - Jun 5 2014
Externally published	Yes

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10.1103/PhysRevB.89.245302

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@article{a4d75e5809814f1cbaf88269d955214f,

title = "Modeling of the effect of intentionally introduced traps on hole transport in single-crystal rubrene",

abstract = "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. {\textcopyright} 2014 American Physical Society.",

author = "Javier Dacu{\~n}a and Amit Desai and Wei Xie and Alberto Salleo",

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.",

year = "2014",

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doi = "10.1103/PhysRevB.89.245302",

language = "English (US)",

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issn = "1098-0121",

publisher = "American Physical Society",

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T1 - Modeling of the effect of intentionally introduced traps on hole transport in single-crystal rubrene

AU - Dacuña, Javier

AU - Desai, Amit

AU - Xie, Wei

AU - Salleo, Alberto

N1 - 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.

PY - 2014/6/5

Y1 - 2014/6/5

N2 - 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.

AB - 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.

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U2 - 10.1103/PhysRevB.89.245302

DO - 10.1103/PhysRevB.89.245302

M3 - Article

SN - 1098-0121

VL - 89

JO - Physical Review B

JF - Physical Review B

IS - 24

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

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