Theoretical prediction of heterogeneous molecular wires on the Si(001) surface.
Using first-principles density-functional calculations, we propose a self-assembly technique for fabrication of the heterogeneous molecular wire on the dangling-bond wire generated on a H-passivated Si(001) surface. Here, we choose pyridine and borine as Lewis base and acid molecules, respectively, to demonstrate different behaviors in the chemical reactivity and selectivity on the dangling-bond wire, leading to formation of the heterogeneous pyridine-borine wire.
Quantum Photonic Science Research Center, Department of Physics, Hanyang University, 17Haengdang-Dong, Seongdong-Ku, Seoul 133-791, Korea.
Jin-Ho
JH
Choi
Jun-Hyung
JH
Cho