Full-coverage adsorption structure of H/Rh(110)
Full-coverage adsorption structure of H/Rh(110)
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H/Rh(110)全覆盖吸附结构
DOI：
10.1088/0022-3719/21/2/007
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发表时间：
1988
期刊：
影响因子：
--
通讯作者：
K. Müller
中科院分区：
文献类型：
--
作者：
W. Oed;W. Puchta;N. Bickel;K. Heinz;W. Nichtl;K. Müller
在完全覆盖时，Rh(110) 上的氢吸附形成 1*1-2H 结构。 LEED 结构分析（尽管仅限于整数级光束光谱）能够检测吸附位置，该位置位于第一基底层上方 0.78 AA 处，几乎占据但不完全是三重配位位置，距 Rh 行的横向距离为 0.98 AA。因此，观察到几乎等距的氢行。然而，由于缺少超结构点以及氢对整数级点强度的影响较弱，氢结构参数的误差线相对较大，高达+或-0.3 AA。然而，最小 Pendry R 因子低至 0.28。氢气消除了清洁表面在大距离处观察到的多层松弛，第一层和第二层之间仅收缩了 1.6%。这与之前的计算结果一致，忽略了氢，但代价是 R 因子信心不足 (0.37)。
At full coverage, adsorption of hydrogen on Rh(110) develops a 1*1-2H structure. A LEED structure analysis-though restricted to integer-order beam spectra only-is able to detect the adsorption position, which is 0.78 AA above the first substrate layer occupying nearly but not exactly threefold-coordinated sites at a lateral distance of 0.98 AA from the Rh rows. So, nearly equidistant hydrogen rows are observed. However, because of missing superstructure spots and a weak influence of hydrogen on integer-order spot intensities, comparatively large error bars of up to +or-0.3 AA result for hydrogen structure parameters. Nevertheless the minimum Pendry R-factor is as low as 0.28. Hydrogen removes the multi-layer relaxation observed for the clean surface towards bulk distances with only a 1.6% contraction between the first and second layer. This is in agreement with previous calculations neglecting hydrogen at the price of a less confident R-factor (0.37).