Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?
文献类型：期刊论文
| 作者 | Qu, Mengyang2; Huang, Gang4; Liu, Xinyi; Nie, Xuechuan2; Qi, Chonghai; Wang, Huabin5; Hu, Jun6; Fang, Haiping7; Gao, Yi6; Liu, Wei-Tao |
| 刊名 | CHEMICAL SCIENCE
 |
| 出版日期 | 2022 |
| 卷号 | 13期号:35页码:10546-10554 |
| ISSN号 | 2041-6520 |
| 关键词 | SUM-FREQUENCY GENERATION MOLECULAR-DYNAMICS INTERFACIAL WATER TITANIUM-DIOXIDE ELECTRON-TRANSFER TIO2 SPECTROSCOPY ADSORPTION LAYER PHOTOOXIDATION |
| DOI | 10.1039/d2sc02047e |
| 英文摘要 | The lack of understanding of the molecular-scale water adsorbed on TiO2 surfaces under ambient conditions has become a major obstacle for solving the long-time scientific and applications issues, such as the photo-induced wetting phenomenon and designing novel advanced TiO2-based materials. Here, with the molecular dynamics simulation, we identified an ordered water bilayer structure with a two-dimensional hydrogen bonding network on a rutile TiO2(110) surface at ambient temperature, corroborated by vibrational sum-frequency generation spectroscopy. The reduced number of hydrogen bonds between the water bilayer and water droplet results in a notable water contact angle (25 +/- 5 degrees) of the pristine TiO2 surface. This surface hydrophobicity can be enhanced by the adsorption of the formate/acetate molecules, and diminishes with dissociated H2O molecules. Our new physical framework well explained the long-time controversy on the origin of the hydrophobicity/hydrophilicity of the TiO2 surface, thus help understanding the efficiency of TiO2 devices in producing electrical energy of solar cells and the photo-oxidation of organic pollutants. |
| 学科主题 | Chemistry |
| 语种 | 英语 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/27848]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
| 作者单位 | 1.Francisco, Joseph S.] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA 2.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 4.Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China 5.Chinese Acad Sci, Inst Theoret Phys, Zhongguancun East Rd 55, Beijing 100190, Peoples R China 6.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing 400714, Peoples R China 7.Chinese Acad Sci, fZhangjiang Lab, Interdisplinary Res Ctr, Shanghai Adv Res Inst, Shanghai 201210, Peoples R China 8.East China Univ Sci & Technol, Sch Sci, Shanghai 200237, Peoples R China 9.Francisco, Joseph S.] Univ Penn, Dept Earth & Envimnmental Sci, Philadelphia, PA 19104 USA |
| 推荐引用方式 GB/T 7714 | Qu, Mengyang,Huang, Gang,Liu, Xinyi,et al. Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?[J]. CHEMICAL SCIENCE,2022,13(35):10546-10554. |
| APA | Qu, Mengyang.,Huang, Gang.,Liu, Xinyi.,Nie, Xuechuan.,Qi, Chonghai.,...&Wang, Chunlei.(2022).Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?.CHEMICAL SCIENCE,13(35),10546-10554. |
| MLA | Qu, Mengyang,et al."Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?".CHEMICAL SCIENCE 13.35(2022):10546-10554. |
入库方式： OAI收割
来源：理论物理研究所
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