[K204-3pm] 04. Physical Chemistry -Properties-

[K204-3pm-08] Theoretical study of heteroatom substitution effect on current-voltage characteristics of polyacenes

^○Mitsuhiro Nishida¹, Naoka Amamizu², Keisuke Sasaki², Masahiro Tsuda², Yuta Hayashi², Kazuki Honjo¹, Koki Masuda¹, Ryohei Kishi^2,3,4,5, Yasutaka Kitagawa^2,3,4,5,6 (1. Faculty of Engineering Science, Osaka Univ., 2. Graduate School of Engineering Science, Osaka Univ., 3. QIQB, Osaka Univ., 4. RCSEC, Osaka Univ., 5. ICS-OTRI, Osaka Univ., 6. SRN-OTRI, Osaka Univ.)

[Lang.] Japanese

Keywords:polyacene, molecular electronics, quantum chemistry, density functional theories, elastic scattering Green's function