Published in

American Institute of Physics, Applied Physics Letters, 14(97), p. 142111

DOI: 10.1063/1.3499310

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A boron-containing molecule as an efficient electron-transporting material with low-power consumption

Journal article published in 2010 by Katsuyuki Shizu, Tohru Sato, Kazuyoshi Tanaka, Hironori Kaji ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

We theoretically propose a boron-containing molecule, hexaboracyclophane (HBCP), as an electron-transporting (ET) material with low-power loss. We calculate the vibronic coupling of HBCP, comparing them with those of other ET materials, tris-(8-hydroxyquinoline) aluminum(III) (Alq3) and tris[3-(3-pyridyl)mesityl]borane (3TPYMB). Using the nonequilibrium Green’s function method to evaluate their single molecular ET properties, we show that HBCP exhibits more efficient and lower-power consumption than Alq3 and 3TPYMB. HBCP has suitable highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels as an electron-transport layer when Alq3 is employed as an emitter.