[1Ep01-06] LD/NS/NM

[1Ep01] Design of multi-functional single-molecule devices based on molecular orbital theory

*Tatsuhiko Ohto¹, Ryo Yamada¹, Hirokazu Tada¹ (1. Graduate School of Engineering Science, Osaka University)

After the propolas of single molecular diode by Aviram and Ratner in 1974, it has been attempted to produce an efficient molecular diode in collaboration between synthesis, measurement, and theory. Recently, single molecular diodes have been desinged from theoretical models based on tunnelling through single or multiple molecular orbitals. The rectifycation behavior is induced by the energy shift of the molecular otbital, bias-dependent coupling ratio, or resonance between molecular orbitals. We introduce the each mechanism in detail and the recent progress on the design principles of molecular diodes.