Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.
J Chem Phys. 2010 Oct 21;133(15):154703. doi: 10.1063/1.3488803.
Two interpretations have been proposed of dark triangles observed in scanning tunneling microscopy (STM) images of the best bound, √37×√37-R25.3°, and √39×√39-R16.1° periodic water monolayers on Pt(111). In one, a "Y"-shaped tetramer of water molecules is removed, leaving a vacancy island behind; the other assumes the Y is replaced by a hexagon of H(2)O molecules, amounting to a di-interstitial. Consistent only with the di-interstitial model are thermal desorption and CO coadsorption data, STM line scans, and total energies obtained from density functional theory calculations.
在 Pt(111)表面上最佳结合的 √37×√37-R25.3°和 √39×√39-R16.1°周期水单层的扫描隧道显微镜(STM)图像中观察到暗三角形,对此提出了两种解释。一种解释是,一个“Y”字形的水分子四聚体被移除,留下一个空位岛;另一种解释是,Y 被一个 H(2)O 分子的六边形取代,相当于一个双间隙。只有双间隙模型与热解吸和 CO 共吸附数据、STM 线扫描以及密度泛函理论计算得到的总能量一致。