[19p-D903-1~15] 12.2 Characterization and Materials Physics

5:15 PM - 5:30 PM JST(8:15 AM - 8:30 AM UTC)

[19p-D903-13] First-principles study of diodic properties of the single \pi conjugated molecule cross-linking system

〇Miku Furushima¹, Mitsuharu Uemoto¹, Tomoya Ono¹ (1.Kobe Univ.)

Keywords:

single molecule transistor,semiconductor,first-principles calculation

The electronic transport properties, especially the diodic properties of the single \pi conjugated molecule cross-linking Au electrodes were verified by ab initio calculations. Inspite of the symmetric structure of the molecule, the difference of the binding styles (chemisorption or physisorption) generates the asymmetric electronic states and the diodic properties.