Nanoclusters and amorphous ice flakes built from water dimers
Nanoclusters and amorphous ice flakes built from water dimers
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DOI：
10.1016/j.apsusc.2020.145973
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发表时间：
2020-06
影响因子：
6.7
通讯作者：
Lijuan Zhao;Minlong Tao;K. Sun;Yubing Tu;Da-Xiao Yang;Zilong Wang;Mingmin Shi;Junzhong Wang
中科院分区：
文献类型：
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作者：
Lijuan Zhao;Minlong Tao;K. Sun;Yubing Tu;Da-Xiao Yang;Zilong Wang;Mingmin Shi;Junzhong Wang
水-固相互作用对于理解和控制界面水的结构具有重要意义。在这里，我们研究的初始阶段的水吸附和成核的Cd（0001）表面，通过结合低温扫描隧道显微镜（STM）实验和第一性原理密度泛函理论（DFT）计算。发现水聚集成各种团簇，其中水二聚体占主导地位。特别地，无定形冰纳米片仅由水二聚体构建。在STM尖端电场的驱动下，水二聚体可以在表面跳跃，从一个簇中分离，随后附着到另一个簇中，或者在无定形冰纳米片中旋转或扩散。密度泛函理论计算表明，水分子二聚体的吸附稳定性是由于吸附引起的水分子偶极矩的增强。
The water-solid interaction is fundamentally important for understanding and controlling the structures of interfacial water. Here we study the initial stage of water adsorption and nucleation on a Cd(0001) surface, through a combination of low temperature scanning tunnelling microscopy (STM) experiments and first-principles density-functional theory (DFT) calculation. Water is found to aggregate into various clusters with the dominant of water dimers. Particularly, the amorphous ice nanoflakes are built exclusively from water dimers. Driven by the electric field from a STM tip, the water dimers can hop across the surface, detach from a cluster with subsequent attaching to another, or rotate or diffuse within the amorphous ice nanoflakes. DFT calculations demonstrate that the ultrahigh stability of water dimers results from the adsorption-induced enhancement of dipole moment of water.