Study on the crystal structure of (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) pyrochlore
Zhang, K. Q.1,2; Liu, C. G.2; Li, F. Z.1; Yang, D. Y.2; Chen, C.1; Wu, R. D.3; Peng, S. M.1; Li, Y. H.2; Zhang, H. B.1
Corresponding AuthorLi, Y. H.( ; Zhang, H. B.(
AbstractSynthesis, characterisation and crystal structure analysis studies of oxides in (Gd2-xCex)Ti2O7 series have been reported, Ce3+ used as a surrogate for Pu3+ because they have similar physical and chemical properties. In the present report, a series of pyrochlore-type crystal with composition (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) were successfully synthesised by the solution combustion followed by high temperature calcining. The phase purity and crystal structure of samples were investigated by X-ray diffraction analysis as well as Rietveld refinement. It was observed that the solubility of Ce3+ in the lattice of Gd2Ti2O7 pyrochlore is 39.62 mol.-%. The calculated lattice parameters and the simulated XRD patterns of (Gd2-xCex)Ti2O7 (x = 0, 0.5, 1) were obtained based on the density functional theory. The results of theoretical calculation are quite consistent with the results of the experiment. Additionally, the grain size and the visual information about the microscopic structure of the (Gd2-xCex)Ti2O7 crystals were obtained by transmission electron microscopy.
KeywordSolution combustion Pyrochlore Crystal structure First-principle calculations Solubility Lattice parameters Rietveld refinement X-ray diffraction analysis
Funding OrganizationNational Natural Science Foundation of China
Indexed BySCI
Funding ProjectNational Natural Science Foundation of China[11175076] ; National Natural Science Foundation of China[11475076]
WOS Research AreaMaterials Science
WOS SubjectMaterials Science, Ceramics
WOS IDWOS:000382256300006
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Cited Times:8[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Corresponding AuthorLi, Y. H.; Zhang, H. B.
Affiliation1.China Acad Engn Phys, Inst Nucl Phys & Chem, Mianyang 621900, Peoples R China
2.Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 7340000, Peoples R China
3.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China
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GB/T 7714
Zhang, K. Q.,Liu, C. G.,Li, F. Z.,et al. Study on the crystal structure of (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) pyrochlore[J]. ADVANCES IN APPLIED CERAMICS,2016,115(7):411-416.
APA Zhang, K. Q..,Liu, C. G..,Li, F. Z..,Yang, D. Y..,Chen, C..,...&Zhang, H. B..(2016).Study on the crystal structure of (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) pyrochlore.ADVANCES IN APPLIED CERAMICS,115(7),411-416.
MLA Zhang, K. Q.,et al."Study on the crystal structure of (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) pyrochlore".ADVANCES IN APPLIED CERAMICS 115.7(2016):411-416.
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