Abstract: Organometallic compounds composed of metal atoms and organic molecular rings have unique physical and chemical properties, and show attractive applications in optoelectronic devices, catalysts, biosensors and so on. In this paper, the structure and photoelectron spectra of a series of organometallic compounds Ln(C8H8)2¯ (Ln = Ce, Eu, Ho, Nd and Yb) have been systematically studied by using two functional B3LYP and BPW91 based on the density functional theory. The results show organometallic complexes Ln(C8H8)2¯ are typical "sandwich" structure. Both Eu(C8H8)2¯ and Ho(C8H8)2¯ have perfect "sandwich" structure with high D8h point symmetry. Nd(C8H8)2¯ and Yb(C8H8)2¯ possess D4h point symmetry. Ce(C8H8)2¯ is a distorted "sandwich" structure with C1 point symmetry. Generalized koopmans’ theorem is applied to simulate the photoelectron spectra, and the results are in agreement with the experiments.Abstract: Organometallic compounds composed of metal atoms and organic molecular rings have unique physical and chemical properties, and show attractive applications in optoelectronic devices, catalysts, biosensors and so on. In this paper, the structure and photoelectron spectra of a series of organometallic compounds Ln(C8H8)2¯ (Ln = Ce, Eu, Ho, Nd and Yb)...Show More
Abstract: Next generation of Si-based nano-optoelectronic devices calls for monolithic integration of photonics with silicon. Here we report the synthesis of silicon nanowires with In2Se3 nanoflakes decorated by a one-step chemical vapor deposition under atmospheric pressure. These nanowires show pronounced red emission with wavelength in the range of 620-850 nm at room temperature under illumination of continuous wave laser. The strong emission originates from the photoluminescence of ultra-thin In2Se3 nanoflakes in view of the nanoscale footprint and atomically-thin thicknesses as well as high single-quality of the In2Se3 nanoflakes. This work demonstrated that nanoscale atomically-thin In2Se3 flakes can grow epitaxially on the surface of single-crystalline silicon nanowires and serves as strong red light emission centers for silicon nanowires. Therefore, these nanowires are promising to be used as a Si-compatible red light emission material for Si-based integrated nano-optoelectronic devices.Abstract: Next generation of Si-based nano-optoelectronic devices calls for monolithic integration of photonics with silicon. Here we report the synthesis of silicon nanowires with In2Se3 nanoflakes decorated by a one-step chemical vapor deposition under atmospheric pressure. These nanowires show pronounced red emission with wavelength in the range of 620-85...Show More