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Träfflista för sökning "WFRF:(Yao Mingguang) ;pers:(Ma Fengxian)"

Sökning: WFRF:(Yao Mingguang) > Ma Fengxian

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1.
  • Cui, Wen, et al. (författare)
  • Reversible pressure-induced polymerization of Fe(C5H5)(2) doped C-70
  • 2013
  • Ingår i: Carbon. - : Pergamon-Elsevier Science. - 0008-6223 .- 1873-3891. ; 62, s. 447-454
  • Tidskriftsartikel (refereegranskat)abstract
    • High pressure Raman, IR and X-ray diffraction (XRD) studies have been carried out on C-70(Fe(C5H5)(2))(2) (hereafter, "C-70(Fc)(2)") sheets. Theoretical calculation is further used to analyze the Electron Localization Function (ELF) and charge transfer in the crystal and thus to understand the transformation of C-70(Fc)(2) under pressure. Our results show that even at room temperature dimeric phase and one dimensional (1D) polymer phase of C-70 molecules can be formed at about 3 and 8 GPa, respectively. The polymerization is found to be reversible Upon decompression and the reversibility is related to the pressure-tuned charge transfer, as well as the overridden steric repulsion of counter ions. According to the layered structure of the intercalated ferrocene molecules formed in the crystal, we suggest that ferrocene acts as not only a spacer to restrict the polymerization of C-70 molecules within a layer, but also as charge reservoir to tune the polymerization process. This supplies a possible way for us to design the polymerization of fullerenes at suitable conditions.
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2.
  • Cui, Jinxing, et al. (författare)
  • Structural Deformation of Sm@C88under High Pressure
  • 2015
  • Ingår i: Scientific Reports. - : Nature Publishing Group. - 2045-2322. ; 5
  • Tidskriftsartikel (refereegranskat)abstract
    • We have studied the structural transformation of Sm@C88 under pressure up to 18 GPa by infraredspectroscopy combined with theoretical simulations. The infrared-active vibrational modes of Sm@C88 at ambient conditions have been assigned for the first time. Pressure-induced blue and red shiftsof the corresponding vibrational modes indicate an anisotropic deformation of the carbon cage uponcompression. We propose that the carbon cage changes from ellipsoidal to approximately sphericalaround 7 GPa. A smaller deformation of the carbon bonds in the area close to the Sm atom in thecage suggests that the trapped Sm atom plays a role in minimizing the compression of the adjacentbonds. Pressure induced a significant reduction of the band gap of the crystal. The HOMO-LUMOgap of the Sm@C88 molecule decreases remarkably at 7 GPa as the carbon cage is deformed. Also,compression enhances intermolecular interactions and causes a widening of the energy bands. Botheffects decrease the band gap of the sample. The carbon cage deforms significantly above 7 GPa,from spherical to a peanut-like shape and collapses at 18 GPa.
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refereegranskat (2)
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Sundqvist, Bertil (2)
Liu, Ran (2)
Li, Quanjun (2)
Cui, Tian (2)
Liu, Bingbing (2)
Yao, Mingguang (2)
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Zou, Bo (2)
Liu, Bo (1)
Cui, Wen (1)
Yao, Zhen (1)
Liu, Zhenxian (1)
Cui, Jinxing (1)
Yang, Hua (1)
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