From the catalytic, semiconducting, and optical properties of zinc oxide (ZnO) numerous potential applications emerge. For the physical and chemical properties of the surface, under-coordinated atoms often play an important role, necessitating systematic studies of their influence. Here we study the vicinal ZnO(\(10\bar{1}4\)) surface, rich in under-coordinated sites, using a combination of several experimental techniques and density functional theory calculations. We determine the atomic-scale structure and find the surface to be a stable, long-range ordered, non-polar facet of ZnO, with a high step-density and uniform termination. Contrary to an earlier suggested nano-faceting model, a bulk termination fits much better to our experimental observations. The surface is further stabilized by dissociatively adsorbed H₂O on adjacent under-coordinated O- and Zn-atoms. The stabilized surface remains highly active for water dissociation through the remaining under-coordinated Zn-sites. Such a vicinal oxide surface is a prerequisite for future adsorption studies with atomically controlled local step and terrace geometry.

根据氧化锌 (ZnO) 的催化、半导体和光学特性，出现了许多潜在的应用。对于表面的物理和化学性质，配位不足的原子通常起着重要作用，需要系统地研究它们的影响。在这里，我们研究了邻位 ZnO( \(10\bar{1}4\)) 表面，富含欠协调位点，结合使用多种实验技术和密度泛函理论计算。我们确定了原子级结构，发现表面是 ZnO 的稳定、长程有序、非极性小平面，具有高阶跃密度和均匀终止。与早期建议的纳米刻面模型相反，批量终端更适合我们的实验观察。通过离解吸附在相邻的配位不足的 O 和 Zn 原子上的H ₂ O，表面进一步稳定。稳定的表面通过剩余的配位不足的 Zn 位点保持高度的水离解活性。这种邻位氧化物表面是未来使用原子控制的局部台阶和平台几何结构进行吸附研究的先决条件。