Fritz-Haber-Institut der Max-Planck-Gesellschaft , Faradayweg 4-6 , 14195 Berlin , Germany.
Physik-Department E20 , TU München , 85748 Garching , Germany.
J Am Chem Soc. 2018 May 16;140(19):6164-6168. doi: 10.1021/jacs.8b02905. Epub 2018 May 2.
We present a new polymorph of the two-dimensional (2D) silica film with a characteristic 'zigzag' line structure and a rectangular unit cell which forms on a Ru(0001) metal substrate. This new silica polymorph may allow for important insights into growth modes and transformations of 2D silica films as a model system for the study of glass transitions. Based on scanning tunneling microscopy, low energy electron diffraction, infrared reflection absorption spectroscopy, and X-ray photoelectron spectroscopy measurements on the one hand, and density functional theory calculations on the other, a structural model for the 'zigzag' polymorph is proposed. In comparison to established monolayer and bilayer silica, this 'zigzag' structure system has intermediate characteristics in terms of coupling to the substrate and stoichiometry. The silica 'zigzag' phase is transformed upon reoxidation at higher annealing temperature into a SiO silica bilayer film which is chemically decoupled from the substrate.
我们提出了一种新的二维(2D)硅薄膜多晶型,具有特征的“之”字形线结构和形成于 Ru(0001) 金属基底上的矩形单元。这种新的硅多晶型可能会为 2D 硅薄膜的生长模式和转变提供重要的见解,因为它是研究玻璃转变的模型系统。基于扫描隧道显微镜、低能电子衍射、红外反射吸收光谱和 X 射线光电子能谱测量,以及密度泛函理论计算,提出了一种“之”字形多晶型的结构模型。与已建立的单层和双层硅相比,这种“之”字形结构系统在与基底的耦合和化学计量方面具有中间特性。在较高的退火温度下重新氧化时,硅“之”字形相转变为与基底化学解耦的 SiO 双层膜。