石墨烯的结构和生长在铼(0001)表面的表面碳化物

Estelle Mazaleyrat, M. Pozzo, D. Alfé, A. Artaud, A. G. Gómez Herrero, S. Lisi, V. Guisset, P. David, C. Chapelier, J. Coraux
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引用次数: 1

摘要

过渡金属表面催化广泛的热活化反应,涉及含碳物质——从原子碳到小碳氢化合物或有机分子,以及聚合物。这些反应产生分离良好的相,例如石墨烯和金属表面,或者相反,产生合金相,例如金属碳化物。在这里,我们研究了铼(0001)表面上的碳相,其中前者可以转变为后者。我们发现这种转变随着退火时间的增加而发生,因此不适合提高石墨烯的质量。我们的扫描隧道光谱和反射高能电子衍射分析表明,重复的短退火周期最适合增加结构相干石墨烯畴的横向延伸。利用同样的技术,在密度泛函理论计算的支持下,我们接下来在真实空间中揭示了自20世纪70年代以来用衍射观察到的铼表面碳化物的许多变体(两个六重族)的对称性,并最终提出了原子细节的模型。其中一个模型与显微镜观察结果很好地吻合,它由平行排列的8个对齐的碳三聚体组成,具有所谓的$(7\times\sqrt{\ mathm{19}})$单位细胞,相对于Re(0001)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Structure of graphene and a surface carbide grown on the (0001) surface of rhenium
Transition metal surfaces catalyse a broad range of thermally-activated reactions involving carbon-containing-species -- from atomic carbon to small hydrocarbons or organic molecules, and polymers. These reactions yield well-separated phases, for instance graphene and the metal surface, or, on the contrary, alloyed phases, such as metal carbides. Here, we investigate carbon phases on a rhenium (0001) surface, where the former kind of phase can transform into the latter. We find that this transformation occurs with increasing annealing time, which is hence not suitable to increase the quality of graphene. Our scanning tunneling spectroscopy and reflection high-energy electron diffraction analysis reveal that repeated short annealing cycles are best suited to increase the lateral extension of the structurally coherent graphene domains. Using the same techniques and with the support of density functional theory calculations, we next unveil, in real space, the symmetry of the many variants (two six-fold families) of a rhenium surface carbide observed with diffraction since the 1970s, and finally propose models of the atomic details. One of these models, which nicely matches the microscopy observations, consists of parallel rows of eight aligned carbon trimers with a so-called $(7\times\sqrt{\mathrm{19}})$ unit cell with respect to Re(0001).
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