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Oxygen incorporation in rubrene single crystals.

Mastrogiovanni DD, Mayer J, Wan AS, Vishnyakov A, Neimark AV, Podzorov V, Feldman LC, Garfunkel E - Sci Rep (2014)

Bottom Line: These properties are detrimentally affected when rubrene is exposed to intense light under ambient conditions for prolonged periods of time, possibly due to oxygen up-take.Grand canonical Monte Carlo computations show no sorbtion of gases into the bulk of rubrene crystal.A mechanism for photo-induced oxygen inclusion is proposed.

View Article: PubMed Central - PubMed

Affiliation: Department of Chemistry and Chemical Biology, Rutgers University Piscataway, NJ 08854.

ABSTRACT
Single crystal rubrene is a model organic electronic material showing high carrier mobility and long exciton lifetime. These properties are detrimentally affected when rubrene is exposed to intense light under ambient conditions for prolonged periods of time, possibly due to oxygen up-take. Using photoelectron, scanning probe and ion-based methods, combined with an isotopic oxygen exposure, we present direct evidence of the light-induced reaction of molecular oxygen with single crystal rubrene. Without a significant exposure to light, there is no reaction of oxygen with rubrene for periods of greater than a year; the crystal's surface (and bulk) morphology and chemical composition remain essentially oxygen-free. Grand canonical Monte Carlo computations show no sorbtion of gases into the bulk of rubrene crystal. A mechanism for photo-induced oxygen inclusion is proposed.

No MeSH data available.


Related in: MedlinePlus

Schematic illustration of the proposed interaction of O2 with single crystal rubrene.In the absence of light, oxygen is not able to oxidize densely packed terraces or penetrate in the crystal bulk. Under illumination the oxygen reacts with rubrene at steps/surface defects, opening up the crystal lattice to allow for penetration into the bulk.
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f1: Schematic illustration of the proposed interaction of O2 with single crystal rubrene.In the absence of light, oxygen is not able to oxidize densely packed terraces or penetrate in the crystal bulk. Under illumination the oxygen reacts with rubrene at steps/surface defects, opening up the crystal lattice to allow for penetration into the bulk.

Mentions: Several models may describe the interaction between molecular oxygen and single crystal rubrene. These models represent concepts proposed by ourselves and other aforementioned authors, and focus mainly on the structural relationship between oxygen and rubrene. In the dark, organic single crystals can be viewed as either an impenetrable solid or a semi-porous material into which O2 can diffuse. Under illumination, a number of oxidized rubrene species can be created as the result of photo-oxidation. These species can be found at the surface, but can also exist in the bulk either due to incorporation of oxygen in the bulk during crystal growth or through a mechanism of diffusion into the lattice and a subsequent reaction with rubrene molecules. One can also envision the initiation and progression of the oxidation as either occurring homogeneously along the crystal surface or at specific sites, e.g. molecular step edges or other surface defects as illustrated in Fig 1.


Oxygen incorporation in rubrene single crystals.

Mastrogiovanni DD, Mayer J, Wan AS, Vishnyakov A, Neimark AV, Podzorov V, Feldman LC, Garfunkel E - Sci Rep (2014)

Schematic illustration of the proposed interaction of O2 with single crystal rubrene.In the absence of light, oxygen is not able to oxidize densely packed terraces or penetrate in the crystal bulk. Under illumination the oxygen reacts with rubrene at steps/surface defects, opening up the crystal lattice to allow for penetration into the bulk.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4007094&req=5

f1: Schematic illustration of the proposed interaction of O2 with single crystal rubrene.In the absence of light, oxygen is not able to oxidize densely packed terraces or penetrate in the crystal bulk. Under illumination the oxygen reacts with rubrene at steps/surface defects, opening up the crystal lattice to allow for penetration into the bulk.
Mentions: Several models may describe the interaction between molecular oxygen and single crystal rubrene. These models represent concepts proposed by ourselves and other aforementioned authors, and focus mainly on the structural relationship between oxygen and rubrene. In the dark, organic single crystals can be viewed as either an impenetrable solid or a semi-porous material into which O2 can diffuse. Under illumination, a number of oxidized rubrene species can be created as the result of photo-oxidation. These species can be found at the surface, but can also exist in the bulk either due to incorporation of oxygen in the bulk during crystal growth or through a mechanism of diffusion into the lattice and a subsequent reaction with rubrene molecules. One can also envision the initiation and progression of the oxidation as either occurring homogeneously along the crystal surface or at specific sites, e.g. molecular step edges or other surface defects as illustrated in Fig 1.

Bottom Line: These properties are detrimentally affected when rubrene is exposed to intense light under ambient conditions for prolonged periods of time, possibly due to oxygen up-take.Grand canonical Monte Carlo computations show no sorbtion of gases into the bulk of rubrene crystal.A mechanism for photo-induced oxygen inclusion is proposed.

View Article: PubMed Central - PubMed

Affiliation: Department of Chemistry and Chemical Biology, Rutgers University Piscataway, NJ 08854.

ABSTRACT
Single crystal rubrene is a model organic electronic material showing high carrier mobility and long exciton lifetime. These properties are detrimentally affected when rubrene is exposed to intense light under ambient conditions for prolonged periods of time, possibly due to oxygen up-take. Using photoelectron, scanning probe and ion-based methods, combined with an isotopic oxygen exposure, we present direct evidence of the light-induced reaction of molecular oxygen with single crystal rubrene. Without a significant exposure to light, there is no reaction of oxygen with rubrene for periods of greater than a year; the crystal's surface (and bulk) morphology and chemical composition remain essentially oxygen-free. Grand canonical Monte Carlo computations show no sorbtion of gases into the bulk of rubrene crystal. A mechanism for photo-induced oxygen inclusion is proposed.

No MeSH data available.


Related in: MedlinePlus