Crystal face dependent intrinsic wettability of metal oxide surfaces  

作　　者：Zhongpeng Zhu Zhenwei Yu Frank FYun Deng Pan Ye Tian Lei Jiang Xiaolin Wang 

机构地区：[1]Key Laboratory of Bio-inspired Materials and Interfacial Science,Technical Institute of Physics and Chemistry,Chinese Academy of Sciences,Beijing 100190,China [2]Institute for Superconducting and Electronic Materials,Australian Institute for Innovative Materials,University of Wollongong,Wollongong,NSW 2500,Australia [3]Key Laboratory of Bio-inspired Smart Interfacial Science and Technology of Ministry of Education,School of Chemistry,Beihang University,Beijing 100191,China [4]University of Chinese Academy of Sciences,Beijing 100049,China [5]Jinan Yian Biology Institute,Shandong Yian Biological Engineering Co.Ltd.,Jinan 250100,China [6]ARC Centre of Excellence for Future Low-Energy Electronics Technologies(FLEET),University of Wollongong,North Wollongong,NSW 2522,Australia

出　　处：《National Science Review》2021年第1期105-112,共8页国家科学评论（英文版）

基　　金：supported by the National Natural Science Foundation of China(21722309,21972154,21988102 and51901009);the National Research Fund for Fundamental Key Projects(2018YFA0208502 and 2017YFA0204504);the Frontier Science Key Projects of CAS(ZDBS-LY-SLH022);the Australian Research Council Future Fellowship project(FT130100778 X.W.);the ARC Centre of Excellence in Future Low-Energy Electronics Technologies;Shandong Yi An Bio-Engineering Co.LTD.(LJNY201603)。

摘　　要：Knowledge of intrinsic wettability at solid/liquid interfaces at the molecular level perspective is significant in understanding crucial progress in some fields,such as electrochemistry,molecular biology and earth science.It is generally believed that surface wettability is determined by the surface chemical component and surface topography.However,when taking molecular structures and interactions into consideration,many intriguing phenomena would enrich or even redress our understanding of surface wettability.From the perspective of interfacial water molecule structures,here,we discovered that the intrinsic wettability of crystal metal oxide is not only dependent on the chemical components but also critically dependent on the crystal faces.For example,the(1I02)crystal face ofα-Al2O3 is intrinsically hydrophobic with a water contact angle near 90°,while another three crystal faces are intrinsically hydrophilic with water contact angles<65°.Based on surface energy analysis,it is found that the total surface energy,polar component and Lewis base portion of the hydrophobic crystal face are all smaller than the other three hydrophilic crystal faces indicating that they have different surface states.DFT simulation further revealed that the adsorbed interfacial water molecules on each crystal face hold various orientations.Herein,the third crucial factor for surface wettability from the perspective of the molecular level is presented,that is the orientations of adsorbed interfacial water molecules apart from the macro-level chemical component and surface topography.This study may serve as a source of inspiration for improving wetting theoretical models and designing controllable wettability at the molecular/atomic level.

关 键 词：anisotropic wettability Α-AL2O3 interfacial water layer surface energy DFT simulation 

分 类 号：O647.11[理学—物理化学]