Theory of the charge-transport properties of naphthyl diamine used in organic light-emitting devices
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
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Detail(s)
Original language | English |
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Pages (from-to) | 2418-2420 |
Journal / Publication | Applied Physics Letters |
Volume | 75 |
Issue number | 16 |
Publication status | Published - 18 Oct 1999 |
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Abstract
The electronic structures of a prototypical electroluminescent molecule, N,N′-bis-(1-naphthyl)-N,N′-diphenyl-1,1′-biphenyl-4,4′- diamine (NPB), with various extra charges (+6 to -6 atomic units), have been theoretically studied by means of the PM3 and ab initio molecular orbital theories as well as density functional theory in combination with a decomposition of the density of states. It was found that, under positive charging, the essential distribution feature of the molecular orbitals at constituent atoms in the NPB molecule can still favor carrier transport, but cannot do so under negative charging. By explaining the efficient hole-transporting property of NPB, the present study elucidates the potential of the theoretical approach for the selection of optimum carrier-transporting organic materials. © 1999 American Institute of Physics.
Citation Format(s)
Theory of the charge-transport properties of naphthyl diamine used in organic light-emitting devices. / Zhang, R. Q.; Lee, C. S.; Lee, S. T.
In: Applied Physics Letters, Vol. 75, No. 16, 18.10.1999, p. 2418-2420.
In: Applied Physics Letters, Vol. 75, No. 16, 18.10.1999, p. 2418-2420.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review