Low-energy electron diffraction study of oxygen-induced reconstructions on Cu(210)
Low-energy electron diffraction study of oxygen-induced reconstructions on Cu(210)
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DOI：
10.1103/physrevb.66.165410
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发表时间：
2002-10
影响因子：
3.7
通讯作者：
Y. P. Guo;K. Tan;Hui‐Qiong Wang;C. Huan;A. Wee
中科院分区：
文献类型：
--
作者：
Y. P. Guo;K. Tan;Hui‐Qiong Wang;C. Huan;A. Wee
用低能电子衍射（LEED）研究了Cu（210）表面氧诱导的再构。氧在Cu（210）表面的吸附导致了一系列的（n×1）（n= 2，3）重构，其中Cu-O链沿[001]方向在最上层形成。发现Cu（210）-（2×1）O结构是热力学最有利的相。定量LEED分析，通过比较不同的2 X I和3 X 1模型的模拟结果，证实了一个附加的行模型与氧气坐在长桥网站沿着[001]方向。氧原子比最上面的Cu原子位于离表面更深的位置，并且Cu-O行向上弛豫。在氧覆盖率为2/3 ML的Cu（210）-（3×1）O结构中，在一个Cu-O行中，氧原子比伴随的Cu原子更深，而在相邻行中，氧原子比Cu原子更高。2×1和3×1重建的最近邻和次近邻Cu-O距离分别为1.82′0.03和1.96′0.06 A。相对较强的Cu-O键的形成似乎是这两种重建的驱动力。
The oxygen-induced reconstructions on Cu(210) have been investigated by low-energy electron diffraction (LEED). The adsorption of oxygen on Cu(210) leads to a series of (n×1) (n=2,3) reconstructions comprising Cu-O chainsalong the [001] direction on the topmost layer. The Cu(210)-(2×1)O structure is found to be the most thermodynamically favorable phase. A quantitative LEED analysis, performed by comparing the simulation results of different 2 X I and 3 X 1 models, confirms an added row model with oxygen sitting on the long bridge sites along the [001] direction. The oxygen atoms sit in a deeper position from the surface than the topmost Cu atoms, and the Cu-O rows relax upward. In the Cu(210)-(3×1)O structure with an oxygen coverage of 2/3ML, oxygen atoms reside deeper than the accompanying Cu atoms in one Cu-O row, while in the adjacent row, oxygen sits higher than the Cu atoms. The nearest and second nearest neighbor Cu-O distances are determined to be 1.82′0.03 and 1.96′0.06 A respectively for both 2×1 and 3×1 reconstructions. The formation of relatively strong Cu-O bonds appears to be the driving force for both reconstructions.