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Highlights: [•] Electronic structures and photophysical properties of HTM were theoretically investigated. [•] Structural modification of HTMs affects luminescent properties of device. [•] The excellent charge mobility enhances luminescent properties. [•] Triphenylamine is a promising donor group for HTM. [•] The studied compounds are suitable as HTM in electroluminescent device. [Copyright &y& Elsevier]

Abstract: A new class of aryl amine derivatives, which contains phenylnaphthyldiamine core, has been synthesized and examined as a hole-transporting material (HTM) for organic light-emitting diodes (OLEDs). These phenylnaphthyldiamine derivatives possess high radical cation stabilities and high morphologic stabilities relative to their biphenyldiamine analogs. Theoretical experiments and OLED device fabrication were carried out to study their better hole-transporting properties. The electroluminescent devices with the phenylnaphthyldiamine derivatives HTM 2–4 as the hole-transporting layer were more efficient than that with the biphenyldiamine HTM 1. [Copyright &y& Elsevier]