Guo-Ling Li

Nanjing University, Nan-ching, Jiangsu Sheng, China

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Publications (5)27.52 Total impact

  • Guo-Ling Li · Zhen Yin ·
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    ABSTRACT: The electronic and optical properties of InMO(4) (M = V, Nb, Ta) photocatalysts are studied using first-principles calculations. For all InMO(4), the calculated band gaps are larger than the measured optical gaps, indicating the existence of sub-bandgap transitions. Impurity states and excitons are considered to interpret the characteristic absorption onsets in the measured UV-visible diffuse reflection spectra. The novel visible-light-active water-splitting photocatalytic properties of InMO(4) are related to the sub-bandgap transitions. Correlation between the impurity states and the photocatalytic activities is discussed for InMO(4)via the conventional mechanism of photocatalytic water-splitting on semiconductors. An excitonic mechanism analogous to Photosystem II in plant photosynthesis is also proposed for the photocatalytic water-splitting process on InMO(4).
    Physical Chemistry Chemical Physics 02/2011; 13(7):2824-33. DOI:10.1039/b921143h · 4.49 Impact Factor
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    ABSTRACT: Figure Presented Tailoring of the crystal size and morphology of metal-organic framework (MOF) materials and manipulation of MOF films is possible by the solvothermal synthesis route introduced here. A c-out-of-plane ZIF-7 membrane (see figure) is obtained through evolutionary selection in a van der Drift-type growth originating from randomly oriented seed layers. Highly oriented MOF thin films are important as molecular sieve membranes.
    Advanced Materials 08/2010; 22(30):3322-6. DOI:10.1002/adma.201000857 · 17.49 Impact Factor
  • Guo-Ling Li · Zhen Yin · Ming-Sheng Zhang ·
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    ABSTRACT: The electronic and optical properties of the high-dielectric-constant material CaCu3Ti4O12 (CCTO) are studied using density-functional theory within the generalized gradient approximation. The calculated electronic structure shows that CCTO is of a charge-transfer character. The optical functions are calculated and the optical spectra are given where all the peaks are assigned with a remarkable absorption peak around 3.5eV, which is attributed to the charge-transfer transitions from O 2p to Cu 3d states. A discussion is made for the optical infrared anomalies in CCTO.
    Materials Science and Engineering B 05/2008; 150(3):163-167. DOI:10.1016/j.mseb.2008.04.006 · 2.17 Impact Factor
  • Guo-Ling Li · Zhen Yin · Ming-Sheng Zhang ·
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    ABSTRACT: The high-dielectric-constant perovskite-related oxide CaCu3Ti4O12 (CCTO) is calculated to be an antiferromagnetic (AFM) semiconductor using density-functional theory within the generalized gradient approximation. The calculated indirect band gap of 0.51 eV is much better than earlier results of about 0.19 eV within the local spin-density approximation. A metastable state is found to be ferromagnetic (FM) and semiconducting, in terms of spin-polarized and fixed-spin-moment methods, indicating semiconducting property and an AFM–FM transition in CCTO. The calculated magnetic moment on CuO4 complex is 0.84μB, in good agreement with experimental results. Based upon the calculated AFM–FM splitting, the sum of the exchange couplings J1+2J3 is estimated to be 14 meV, comparable to the observed characterized magnetic excitations. Besides the Ti path suggested first by Lacroix [C. Lacroix, J. Phys. C 13 (1980) 5125], a possible oxygen path is proposed in the superexchange interaction between Cu spins.
    Physics Letters A 09/2005; 344(2):238-246. DOI:10.1016/j.physleta.2005.07.005 · 1.68 Impact Factor
  • Jian Zhang · Zhen Yin · Guo-Ling Li · Ming-Sheng Zhang ·
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    ABSTRACT: We have derived a formula of third-order nonlinear optical susceptibility χ(3)(−ω;ω,−ω,ω). Under a scissor approximation by using a first-principle band structure approach, we have calculated the third-order nonlinear susceptibility χ(3), dielectric constant ɛ, and the nonlinear optical absorption for BaTiO3. The imaginary parts of the nonlinear susceptibility, dielectric constant, and two-photon absorption coefficient were calculated and discussed. The calculated two-photon absorption coefficient β equals 0.17 cm/GW, is in good agreement with the experimental value of 0.1 cm/GW under 596 nm laser excitation.
    Physics Letters A 02/2005; 335(5):499-504. DOI:10.1016/j.physleta.2004.12.059 · 1.68 Impact Factor