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Synthesis and high-pressure transformation of metastable wurtzite-structured CuGaS2 nanocrystals
Xiao, NR; Zhu, L; Wang, K; Dai, QQ; Wang, YN; Li, SR; Sui, YM; Ma, YM; Liu, J; Liu, BB; Zou, GT; Zou, B;刘景
2012
发表期刊NANOSCALE
卷号4期号:23页码:7443-7447
摘要The metastable wurtzite nanocrystals of CuGaS2 have been synthesized through a facile and effective one-pot solvothermal approach. Through the Rietveld refinement on experimental X-ray diffraction patterns, we have unambiguously determined the structural parameters and the disordered nature of this wurtzite phase. The metastability of wurtzite structure with respect to the stable chalcopyrite structure was testified by a precise theoretical total energy calculation. Subsequent high-pressure experiments were performed to establish the isothermal phase stability of this wurtzite phase in the pressure range of 0-15.9 GPa, above which another disordered rock salt phase crystallized and remained stable up to 30.3 GPa, the highest pressure studied. Upon release of pressure, the sample was irreversible and intriguingly converted into the energetically more favorable and ordered chalcopyrite structure as revealed by the synchrotron X-ray diffraction and the high-resolution transmission electron microscopic measurements. The observed phase transitions were rationalized by first-principles calculations. The current research surely establishes a novel phase transition sequence of disorder -> disorder -> order, where pressure has played a significant role in effectively tuning stabilities of these different phases.
学科领域Chemistry; Science & Technology - Other Topics; Materials Science; Physics
DOI10.1039/c2nr31629c
收录类别SCI
WOS记录号WOS:000310978900023
引用统计
被引频次:17[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/224298
专题多学科研究中心
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GB/T 7714
Xiao, NR,Zhu, L,Wang, K,et al. Synthesis and high-pressure transformation of metastable wurtzite-structured CuGaS2 nanocrystals[J]. NANOSCALE,2012,4(23):7443-7447.
APA Xiao, NR.,Zhu, L.,Wang, K.,Dai, QQ.,Wang, YN.,...&Zou, B;刘景.(2012).Synthesis and high-pressure transformation of metastable wurtzite-structured CuGaS2 nanocrystals.NANOSCALE,4(23),7443-7447.
MLA Xiao, NR,et al."Synthesis and high-pressure transformation of metastable wurtzite-structured CuGaS2 nanocrystals".NANOSCALE 4.23(2012):7443-7447.
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