Understanding the precise atomic structure of ice surfaces is critical for revealing the mechanisms of physical and chemical phenomena at the surfaces, such as ice growth, melting, and chemical reactions. Nevertheless, no conclusive structure has been established. In this study, noncontact atomic force microscopy was used to address the characterization of the atomic structures of ice Ih(0001) and Ic(111) surfaces. The topmost hydrogen atoms are arranged with a short-range (2 × 2) order, independent of the ice thickness and growth substrates used. The electrostatic repulsion between non–hydrogen-bonded water molecules at the surface causes a reduction in the number of the topmost hydrogen atoms together with a distortion of the ideal honeycomb arrangement of water molecules, leading to a short-range–ordered surface reconstruction.

了解冰面的精确原子结构对于揭示冰面的物理和化学现象（如冰的生长，融化和化学反应）的机理至关重要。然而，尚未建立任何决定性的结构。在这项研究中，非接触原子力显微镜用于解决冰Ih（0001）和Ic（111）表面的原子结构的表征。最上面的氢原子以短程（2×2）顺序排列，与所用的冰厚度和生长基质无关。表面上非氢键结合的水分子之间的静电排斥导致最顶层氢原子数量的减少以及理想的水分子蜂窝状排列变形，从而导致了短程有序的表面重建。