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石墨(0001)表面二维润湿水层的形成与结构表征

Formation and structural characterization of two-dimensional wetting water layer on graphite (0001).

作者信息

Yamada Takashi, Tawa Takenori, Murase Natsumi, Kato Hiroyuki S

机构信息

Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka 560-0043, Japan.

出版信息

J Chem Phys. 2022 Aug 21;157(7):074702. doi: 10.1063/5.0097760.

Abstract

Understanding the structure and wettability of monolayer water is essential for revealing the mechanisms of nucleation, growth, and chemical reactivity at interfaces. We have investigated the wetting layer formation of water (ice) on the graphite (0001) surface using a combination of low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM). At around monolayer coverages, the LEED pattern showed a (2 × 2) periodicity and STM revealed a hydrogen-bonded hexagonal network. The lattice constant was about 9% larger than that for ice I/I crystals, and the packing density was 0.096 Å. These results indicate that an extended ice network is formed on graphite, different from that on metal surfaces. Graphite is hydrophobic under ambient conditions due to the airborne contaminant but is considered inherently hydrophilic for a clean surface. In this study, the hydrophilic nature of the clean surface has been investigated from a molecular viewpoint. The formation of a well-ordered commensurate monolayer supports that the interaction of water with graphite is not negligible so that a commensurate wetting layer is formed at the weak substrate-molecule interaction limit.

摘要

了解单层水的结构和润湿性对于揭示界面处的成核、生长和化学反应机制至关重要。我们结合低能电子衍射(LEED)和扫描隧道显微镜(STM)研究了水(冰)在石墨(0001)表面的润湿层形成。在单层覆盖度左右,LEED图案显示出(2×2)周期性,STM揭示了一个氢键连接的六边形网络。晶格常数比冰I/I晶体的晶格常数大约9%,堆积密度为0.096 Å。这些结果表明,在石墨上形成了一个扩展的冰网络,这与在金属表面形成的冰网络不同。由于空气中的污染物,石墨在环境条件下是疏水的,但对于清洁表面而言,它被认为本质上是亲水的。在本研究中,从分子角度研究了清洁表面的亲水性。形成有序的共格单层表明水与石墨的相互作用不可忽略,因此在弱的基底 - 分子相互作用极限下形成了共格润湿层。

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