American Institute of Physics, Applied Physics Letters, 14(97), p. 142111
DOI: 10.1063/1.3499310
Full text: Unavailable
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.