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oe1(光电查) - 科学论文

5 条数据
?? 中文（中国） ▾

  • Tuning the Spectrum Properties of Fullerene C60: Using a Strong External Electric Field

    摘要： The electric ?eld can change the absorption of fullerene C60 to different wavelengths of light by affecting the vibrational modes and electronic transitions. The IR spectrum of fullerene C60 under the strong electric ?eld is studied on B3LYP/6-31G* basis set using density function theory. With the external electric ?eld decreasing, silent modes Hg(1), Ag(1), Gu(2), Hg(5), Ag(2), Hu(7) become active. Meanwhile, UV–Vis spectrum, the excitation energy, excitation wavelength and oscillator strength of ?rst fourteen excited states of fullerene C60 under the ?eld are also studied in B3LYP/6-31G* basis set using time-dependent density functional theory. With the electric ?eld increasing, the absorption peak of fullerene C60 occurs then shifts towards the long-wave region. The excitation energy decrease and the excitation wavelength increase correspondingly, and external electric ?eld makes fullerene C60 absorb energy from 1.01 to 2.31 eV in theory. The energy gap decreases drastically from 2.74 to 1.38 eV, which contributed to tune the energy gap of fullerene C60 by the effect of the electric ?eld in a wide range. It is possible to use electric ?eld to tune fullerene C60 into new energy storage material.

    关键词： External electric ?eld,Excited state,Cluster,IR spectrum,Fullerene C60

    更新于2025-09-23 15:23:52

  • Organic Fractal Nano-Dimensional Structures Based on Fullerene C <sub/>60</sub>

    摘要： The ways for a synthesis of nanoporous and close-packed types of fullerene C60 aggregates in two-component organic solvents (toluene + tetrahydrofuran) were established as well as their structural and dimensional features - were studied by high-resolution transmission electron microscopy and atomic-force microscopy methods. The physical features and regularities that characterize the processes of self-organization of fullerene molecules in the initial molecular solution were determined. The method for producing nanoscale fullerene C60 fractal coatings (thickness up to ~1200 nm) on a flat dielectric glass surface was proposed.

    关键词： self-assembles,AFM,solvent,fullerene C60,TEM,fractal,nanocoating

    更新于2025-09-19 17:15:36

  • Optically controlled field effect transistors based on photochromic spiropyran and fullerene C60 films

    摘要： Optically controlled organic field effect transistors containing a binary mixture of fullerene C60 (n-semiconductor) and spiropyran (photoresponsive conductivity modulator) as the active layer were designed and fabricated. The obtained transistors demonstrated higher transfer characteristics (source-drain current), charge carrier mobility in the active layer, and response rate to an external influence than the multilayer transistor (wherein these semiconductor and photo responsive material are in different layers), which makes them promising candidates for the design of optical memory elements.

    关键词： Optically controlled field effect transistors,photochromic spiropyran,fullerene C60,optical memory elements

    更新于2025-09-12 10:27:22

  • Evaluation of exciton diffusion length in highly oriented fullerene films of fullerene/p-Si(100) hybrid solar cells

    摘要： Highly oriented fullerene (C60) films on p-Si (100) substrates were fabricated to evaluate the crystallinity dependent exciton diffusion length of C60 (LC60). The crystal structure of the C60 films was examined using grazing incidence X-ray diffraction (GIXD). The results of an in-plane rocking scan and a pole figure suggested that a 12-fold-symmetry crystal was grown with the C60(111) surface interfaced to the Si(100) substrate. The photovoltaic characteristics of the oriented C60/p-Si(100) hybrid solar cells were evaluated. A masking effect was clearly evident in the incident photon-to-current conversion efficiency (IPCE) spectra. LC60 was evaluated using both experimental IPCE spectra and that produced by one-dimensional-optical simulation. It was concluded that LC60 for highly oriented C60 was 60 nm, which was longer than that of disordered C60 films.

    关键词： crystal growth,hybrid solar cells,fullerene (C60),exciton diffusion length,grazing incidence X-ray diffraction (GIXD),masking effect

    更新于2025-09-11 14:15:04

  • The model of the fullerene C60 and its ions C60+, C60??pseudopotentials for molecular dynamics purposes

    摘要： The model pseudopotentials of C?60, C60 and C+60 have been constructed on the base of the total electrostatic potentials obtained as a result of ab initio-based calculations. The radial distance dependence of the pseudopotential is obtained by averaging with respect to the spherical angles of the total electrostatic potential. The role of the electronic correlations is investigated by comparison results of using of the di?erent exchange-correlation functional within the density functional theory. All pseudopotentials are ?tted by the ?ne approximation functions and can be applied for molecular dynamics tasks.

    关键词： molecular dynamics,electronic correlations,pseudopotentials,fullerene C60,ab initio calculations

    更新于2025-09-10 09:29:36