Journal of the Korean Ceramic Society (한국세라믹학회지)

The Korean Ceramic Society (한국세라믹학회)
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Molecular Orientation of Intercalants Stabilized in the Interlayer Space of Layered Ceramics: 1-D Electron Density Simulation

  • Yang, Jae-Hun (Center for Intelligent Nano-Bio Materials (CINBM), Department of Chemistry and Nano Science, Ewha Womans University) ;
  • Pei, Yi-Rong (Center for Intelligent Nano-Bio Materials (CINBM), Department of Chemistry and Nano Science, Ewha Womans University) ;
  • Piao, Huiyan (Center for Intelligent Nano-Bio Materials (CINBM), Department of Chemistry and Nano Science, Ewha Womans University) ;
  • Vinu, Ajayan (Future Industries Institute, University of South Australia) ;
  • Choy, Jin-Ho (Center for Intelligent Nano-Bio Materials (CINBM), Department of Chemistry and Nano Science, Ewha Womans University)
  • Received : 2016.07.11
  • Accepted : 2016.07.18
  • Published : 2016.07.31
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Abstract

In this review, an attempt is made to calculate one-dimensional (1-D) electron density profiles from experimentally determined (00l) XRD intensities and possible structural models as well in an effort to understand the collective intracrystalline structures of intercalant molecules of two-dimensional (2-D) nanohybrids with heterostructures. 2-D ceramics, including layered metal oxides and clays, have received much attention due to their potential applicability as catalysts, electrodes, stabilizing agents, and drug delivery systems. 2-D nanohybrids based on such layered ceramics with various heterostructures have been realized through intercalation reactions. In general, the physico-chemical properties of such 2-D nanohybrids are strongly correlated with their heterostructures, but it is not easy to solve the crystal structures due to their low crystallinity and high anisotropic nature. However, the powder X-ray diffraction (XRD) analysis method is thought to be the most powerful means of understanding the interlayer structures of intercalant molecules. If a proper number of well-developed (00l) XRD peaks are available for such 2-D nanohybrids, the 1-D electron density along the crystallographic c-axis can be calculated via a Fourier transform analysis to obtain structural information about the orientations and arrangements of guest species in the interlayer space.

Keywords

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