功函数与肖特基.pptVIP

School of Electrical and Computer Engineering Tuo-Hung Hou A Density Functional Theory Study of Schottky Barriers at Metal-nanotube Contacts Symposium on Quantum Mechanical Models of Materials Outlines Introduction What’s carbon nanotube (CNT)? What’s Schottky barrier ? What’s DFT? DFT simulation on (8,0) carbon nanotube DFT simulation on CNT/Pd and CNT/Au contacts Summary Carbon Nanotube Discovered by Dr. Sumio Iijima in NEC in 1991 Extraordinary properties: Self-assemble nanostructure. (diameter 1 nm / aspect ratio as high as 107) 1-D carrier transport. Reduced scattering. Very