期刊
JOURNAL OF RAMAN SPECTROSCOPY
卷 48, 期 5, 页码 631-638出版社
WILEY
DOI: 10.1002/jrs.5087
关键词
MoAlB; Mo2Ga2C; Mo2GaC; experimental versus calculated spectra; DFT calculations
类别
资金
- Swedish Research Council [621-2011-4420, 621-2014-4890]
- Swedish FUNCASE (Foundation for Strategic Research through the Synergy Grant Functional Carbides for Advanced Surface Engineering)
- Knut and Alice-Wallenberg Foundation [2015.0043]
Here, we report, for the first time, on the first-order Raman spectra of the layered Mo-based ternaries: MoAlB, Mo2Ga2C and Mo2GaC. Polycrystalline samples were fabricated, and well-defined Raman spectra were recorded. When the experimental peak positions were compared with those predicted from density functional theory, good agreement was obtained, indirectly validating both. Furthermore, all modes in the three compounds were symmetry assigned. Copyright (c) 2017 John Wiley & Sons, Ltd.
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