Highly Proton-Ordered Water Structures on Oxygen Precovered Ru{0001}
Highly Proton-Ordered Water Structures on Oxygen Precovered Ru{0001}
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DOI：
10.1021/jp200221b
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发表时间：
2011-06-30
影响因子：
2.9
通讯作者：
Alexandrowicz, G.
中科院分区：
文献类型：
--
作者：
Avidor, N.;Hedgeland, H.;Alexandrowicz, G.
我们提出了在O(2 × 1)/Ru（0001）表面生长的水层的氦散射测量。吸附的水层形成了有序的氦衍射图样，由于滑动线的对称性，衍射点有系统地消失。数据反映了一个明确的表面结构，即使在140 K的惊人高温下也能保持质子的有序。我们测量的衍射数据与最近在6k下进行的STM测量得出的结构一致。与最近的DFT计算的比较是部分一致的，这表明这些计算可能低估了相对水分子取向对结合能的贡献。
We present helium scattering measurements of a water ad-layer grown on a O(2 x 1)/Ru(0001) surface. The adsorbed water layer results in a well ordered helium diffraction pattern with systematic extinctions of diffraction spots due to glide line symmetries. The data reflects a well-defined surface structure that maintains proton order even at surprisingly high temperatures of 140 K. The diffraction data we measure is consistent with a structure recently derived from STM measurements performed at 6 K. Comparison with recent DFT calculation is in partial agreement, suggesting that these calculations might be underestimating the contribution of relative water molecule orientations to the binding energy.