A molybdenum dithiolene complex as p-dopant for hole-transport materials: A multitechnique experimental and theoretical investigation

Yabing Qi; Tissa Sajoto; Michael Kröger; Alexander M. Kandabarow; Wunjun Park; Stephen Barlow; Eung Gun Kim; Leszek Wielunski; L. C. Feldman; Robert A. Bartynski; Jean Luc Brédas; Seth R. Marder; Antoine Kahn

doi:10.1021/cm9031623

A molybdenum dithiolene complex as p-dopant for hole-transport materials: A multitechnique experimental and theoretical investigation

Yabing Qi^*, Tissa Sajoto, Michael Kröger, Alexander M. Kandabarow, Wunjun Park, Stephen Barlow, Eung Gun Kim, Leszek Wielunski, L. C. Feldman, Robert A. Bartynski, Jean Luc Brédas, Seth R. Marder, Antoine Kahn

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

67 Scopus citations

Abstract

Molybdenum tris-[l ,2-bis(trifluoromethyl)ethane-l,2-dithiolene] (Mo(tfd) ₃) is investigated as a P-dopant for organic semiconductors. With an electron affinity of 5.6 eV, Mo(tfd) ₃ is a strong oxidizing agent suitable for the oxidation of several hole transport materials (HTMs). Ultraviolet photoemission spectroscopy confirms -doping of the standard HTM N,N-di-[(l-naphthyl)-N,N-diphenyl]-l, l'biphenyl-4,4'-diamine (a-NPD). Strong enhancement of hole injection at a-NPD/Au interfaces is achieved via doping-induced formation of a narrow depletion region in the organic semiconductor. Variable-temperature current-voltage measurements on a-NPD: Mo(tfd) ₃ (0-3.8 mol%) yield an activation energy for polaron transport that decreases with increasing doping concentration, which is consistent with the effect of the doping-induced filling of traps on hopping transport. Good stability of Mo(tfd)3 versus diffusion in the a-NPD host matrix is demonstrated by Rutherford backscattering for temperatures up to 110 °C. Density functional theory (DFT) calculations are performed to obtain geometries and electronic structures of isolated neutral and anionic Mo(tfd) ₃ molecules.

Original language	English (US)
Pages (from-to)	524-531
Number of pages	8
Journal	Chemistry of Materials
Volume	22
Issue number	2
DOIs	https://doi.org/10.1021/cm9031623
State	Published - Jan 26 2010
Externally published	Yes

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Materials Chemistry

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Qi, Y., Sajoto, T., Kröger, M., Kandabarow, A. M., Park, W., Barlow, S., Kim, E. G., Wielunski, L., Feldman, L. C., Bartynski, R. A., Brédas, J. L., Marder, S. R., & Kahn, A. (2010). A molybdenum dithiolene complex as p-dopant for hole-transport materials: A multitechnique experimental and theoretical investigation. Chemistry of Materials, 22(2), 524-531. https://doi.org/10.1021/cm9031623

@article{a2781f4c20bb4274aef84dadd367309a,

title = "A molybdenum dithiolene complex as p-dopant for hole-transport materials: A multitechnique experimental and theoretical investigation",

abstract = "Molybdenum tris-[l ,2-bis(trifluoromethyl)ethane-l,2-dithiolene] (Mo(tfd) 3) is investigated as a P-dopant for organic semiconductors. With an electron affinity of 5.6 eV, Mo(tfd) 3 is a strong oxidizing agent suitable for the oxidation of several hole transport materials (HTMs). Ultraviolet photoemission spectroscopy confirms -doping of the standard HTM N,N-di-[(l-naphthyl)-N,N-diphenyl]-l, l'biphenyl-4,4'-diamine (a-NPD). Strong enhancement of hole injection at a-NPD/Au interfaces is achieved via doping-induced formation of a narrow depletion region in the organic semiconductor. Variable-temperature current-voltage measurements on a-NPD: Mo(tfd) 3 (0-3.8 mol%) yield an activation energy for polaron transport that decreases with increasing doping concentration, which is consistent with the effect of the doping-induced filling of traps on hopping transport. Good stability of Mo(tfd)3 versus diffusion in the a-NPD host matrix is demonstrated by Rutherford backscattering for temperatures up to 110 °C. Density functional theory (DFT) calculations are performed to obtain geometries and electronic structures of isolated neutral and anionic Mo(tfd) 3 molecules.",

author = "Yabing Qi and Tissa Sajoto and Michael Kr{\"o}ger and Kandabarow, {Alexander M.} and Wunjun Park and Stephen Barlow and Kim, {Eung Gun} and Leszek Wielunski and Feldman, {L. C.} and Bartynski, {Robert A.} and Br{\'e}das, {Jean Luc} and Marder, {Seth R.} and Antoine Kahn",

year = "2010",

month = jan,

day = "26",

doi = "10.1021/cm9031623",

language = "English (US)",

volume = "22",

pages = "524--531",

journal = "Chemistry of Materials",

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Qi, Y, Sajoto, T, Kröger, M, Kandabarow, AM, Park, W, Barlow, S, Kim, EG, Wielunski, L, Feldman, LC, Bartynski, RA, Brédas, JL, Marder, SR & Kahn, A 2010, 'A molybdenum dithiolene complex as p-dopant for hole-transport materials: A multitechnique experimental and theoretical investigation', Chemistry of Materials, vol. 22, no. 2, pp. 524-531. https://doi.org/10.1021/cm9031623

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T1 - A molybdenum dithiolene complex as p-dopant for hole-transport materials

T2 - A multitechnique experimental and theoretical investigation

AU - Qi, Yabing

AU - Sajoto, Tissa

AU - Kröger, Michael

AU - Kandabarow, Alexander M.

AU - Park, Wunjun

AU - Barlow, Stephen

AU - Kim, Eung Gun

AU - Wielunski, Leszek

AU - Feldman, L. C.

AU - Bartynski, Robert A.

AU - Brédas, Jean Luc

AU - Marder, Seth R.

AU - Kahn, Antoine

PY - 2010/1/26

Y1 - 2010/1/26

N2 - Molybdenum tris-[l ,2-bis(trifluoromethyl)ethane-l,2-dithiolene] (Mo(tfd) 3) is investigated as a P-dopant for organic semiconductors. With an electron affinity of 5.6 eV, Mo(tfd) 3 is a strong oxidizing agent suitable for the oxidation of several hole transport materials (HTMs). Ultraviolet photoemission spectroscopy confirms -doping of the standard HTM N,N-di-[(l-naphthyl)-N,N-diphenyl]-l, l'biphenyl-4,4'-diamine (a-NPD). Strong enhancement of hole injection at a-NPD/Au interfaces is achieved via doping-induced formation of a narrow depletion region in the organic semiconductor. Variable-temperature current-voltage measurements on a-NPD: Mo(tfd) 3 (0-3.8 mol%) yield an activation energy for polaron transport that decreases with increasing doping concentration, which is consistent with the effect of the doping-induced filling of traps on hopping transport. Good stability of Mo(tfd)3 versus diffusion in the a-NPD host matrix is demonstrated by Rutherford backscattering for temperatures up to 110 °C. Density functional theory (DFT) calculations are performed to obtain geometries and electronic structures of isolated neutral and anionic Mo(tfd) 3 molecules.

AB - Molybdenum tris-[l ,2-bis(trifluoromethyl)ethane-l,2-dithiolene] (Mo(tfd) 3) is investigated as a P-dopant for organic semiconductors. With an electron affinity of 5.6 eV, Mo(tfd) 3 is a strong oxidizing agent suitable for the oxidation of several hole transport materials (HTMs). Ultraviolet photoemission spectroscopy confirms -doping of the standard HTM N,N-di-[(l-naphthyl)-N,N-diphenyl]-l, l'biphenyl-4,4'-diamine (a-NPD). Strong enhancement of hole injection at a-NPD/Au interfaces is achieved via doping-induced formation of a narrow depletion region in the organic semiconductor. Variable-temperature current-voltage measurements on a-NPD: Mo(tfd) 3 (0-3.8 mol%) yield an activation energy for polaron transport that decreases with increasing doping concentration, which is consistent with the effect of the doping-induced filling of traps on hopping transport. Good stability of Mo(tfd)3 versus diffusion in the a-NPD host matrix is demonstrated by Rutherford backscattering for temperatures up to 110 °C. Density functional theory (DFT) calculations are performed to obtain geometries and electronic structures of isolated neutral and anionic Mo(tfd) 3 molecules.

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U2 - 10.1021/cm9031623

DO - 10.1021/cm9031623

M3 - Article

AN - SCOPUS:75249102537

SN - 0897-4756

VL - 22

SP - 524

EP - 531

JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 2

ER -

A molybdenum dithiolene complex as p-dopant for hole-transport materials: A multitechnique experimental and theoretical investigation

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