Theoretical prediction of heterogeneous molecular wires on the Si(001) surface |
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Authors: | Choi Jin-Ho Cho Jun-Hyung |
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Institution: | Quantum Photonic Science Research Center, Department of Physics, Hanyang University, 17Haengdang-Dong, Seongdong-Ku, Seoul 133-791, Korea. |
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Abstract: | 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. |
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