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Molecular orientation of intercalants stabilized in the interlayer space of layered ceramics: 1-D electron density simulation
- Molecular orientation of intercalants stabilized in the interlayer space of layered ceramics: 1-D electron density simulation
- Yang J.-H.; Pei Y.-R.; Piao H.; Vinu A.; Choy J.-H.
- Ewha Authors
- 최진호; 양재훈
- SCOPUS Author ID
- 최진호; 양재훈
- Issue Date
- Journal Title
- Journal of the Korean Ceramic Society
- vol. 53, no. 4, pp. 417 - 428
- 1-D Electron density simulation; 2-D nanohybrids; Clays; Intercalation; Layered ceramics
- Korean Ceramic Society
- SCOPUS; KCI
- 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. © 2014 Hitotsubashi University.
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