Metastable binding of excess charges to charge-transfer excitons in tetracene

R. W. Munn; W. G. Mabbott; M. Pope

doi:10.1016/0301-0104(89)80146-6

Metastable binding of excess charges to charge-transfer excitons in tetracene

R. W. Munn^*, W. G. Mabbott, M. Pope

^*Corresponding author for this work

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

Abstract

Bound configurations comprising a charge-transfer (CT) exciton and an extra charge carrier have been postulated to explain electron photoemission measurement on tetracene crystals. Coulomb, polarization and charge-quadrupole contributions to the potential energy are calculated for over 100 such configurations, including the effects of changes of polarizability and quadrupole moment in the ions. No bound configurations are found, but some with all three charges along the (110) axis are metastable, with a maximum activation energy of some 0.25 eV for dissociation into a CT exciton and a separated charge carrier. Surface effects may increase the binding, but a metastable bound configuration could explain the photoemission measurements very satisfactorily.

Original language	English
Pages (from-to)	339-345
Number of pages	7
Journal	Chemical Physics
Volume	139
Issue number	2-3
DOIs	https://doi.org/10.1016/0301-0104(89)80146-6
Publication status	Published - 15 Dec 1989

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abstract = "Bound configurations comprising a charge-transfer (CT) exciton and an extra charge carrier have been postulated to explain electron photoemission measurement on tetracene crystals. Coulomb, polarization and charge-quadrupole contributions to the potential energy are calculated for over 100 such configurations, including the effects of changes of polarizability and quadrupole moment in the ions. No bound configurations are found, but some with all three charges along the (110) axis are metastable, with a maximum activation energy of some 0.25 eV for dissociation into a CT exciton and a separated charge carrier. Surface effects may increase the binding, but a metastable bound configuration could explain the photoemission measurements very satisfactorily.",

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AU - Munn, R. W.

AU - Mabbott, W. G.

AU - Pope, M.

PY - 1989/12/15

Y1 - 1989/12/15

N2 - Bound configurations comprising a charge-transfer (CT) exciton and an extra charge carrier have been postulated to explain electron photoemission measurement on tetracene crystals. Coulomb, polarization and charge-quadrupole contributions to the potential energy are calculated for over 100 such configurations, including the effects of changes of polarizability and quadrupole moment in the ions. No bound configurations are found, but some with all three charges along the (110) axis are metastable, with a maximum activation energy of some 0.25 eV for dissociation into a CT exciton and a separated charge carrier. Surface effects may increase the binding, but a metastable bound configuration could explain the photoemission measurements very satisfactorily.

AB - Bound configurations comprising a charge-transfer (CT) exciton and an extra charge carrier have been postulated to explain electron photoemission measurement on tetracene crystals. Coulomb, polarization and charge-quadrupole contributions to the potential energy are calculated for over 100 such configurations, including the effects of changes of polarizability and quadrupole moment in the ions. No bound configurations are found, but some with all three charges along the (110) axis are metastable, with a maximum activation energy of some 0.25 eV for dissociation into a CT exciton and a separated charge carrier. Surface effects may increase the binding, but a metastable bound configuration could explain the photoemission measurements very satisfactorily.

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JO - Chemical Physics

JF - Chemical Physics

IS - 2-3

ER -

Metastable binding of excess charges to charge-transfer excitons in tetracene

Abstract

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