Identification of 5-7 defects in a copper oxide surface.
Identification of 5-7 defects in a copper oxide surface.
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DOI：
10.1021/ja204652v
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发表时间：
2011-07
影响因子：
15
通讯作者：
Fan Yang;Y. Choi;Ping Liu;D. Stacchiola;J. Hrbek;J. Rodríguez
中科院分区：
文献类型：
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作者：
Fan Yang;Y. Choi;Ping Liu;D. Stacchiola;J. Hrbek;J. Rodríguez
在Cu（111）上生长的Cu(2)O表面氧化物存在拓扑缺陷。利用扫描隧道显微镜，我们观察到在Cu(2)O表面氧化物中形成了五边形和七边形环。这些结构打破了六方氧化物表面的对称性，是Cu(2)O表面存在氧空位的结果。我们提出，五角形和七角形环是通过- o - cu - o -链的旋转形成的，其方式类似于Stone-Wales变换。密度泛函理论的计算结果支持了所提出的变换。
A topological defect in a Cu(2)O surface oxide grown on Cu(111) has been identified. Using scanning tunneling microscopy, we observed the formation of pentagonal and heptagonal rings within the Cu(2)O surface oxide. These structures break the symmetry of the hexagonal oxide surface and are a consequence of the presence of oxygen vacancies in the Cu(2)O surface. We propose that the pentagonal and heptagonal rings are formed through the rotation of a -O-Cu-O- chain in a manner similar to the Stone-Wales transformation. The proposed transformation is supported by the results of density functional theory calculations.