溶解
纳米技术
氧化物
水溶液
光催化
水的自电离
材料科学
分解水
光电化学
离解(化学)
分子动力学
化学物理
化学
物理化学
计算化学
催化作用
电化学
有机化学
冶金
电极
标识
DOI:10.1146/annurev-physchem-090722-015957
摘要
Water–metal oxide interfaces are central to many phenomena and applications, ranging from material corrosion and dissolution to photoelectrochemistry and bioengineering. In particular, the discovery of photocatalytic water splitting on TiO 2 has motivated intensive studies of water-TiO 2 interfaces for decades. So far, a broad understanding of the interaction of water vapor with several TiO 2 surfaces has been obtained. However, much less is known about liquid water–TiO 2 interfaces, which are more relevant to many practical applications. Probing these complex systems at the molecular level is experimentally challenging and is sometimes possible only through computational studies. This review summarizes recent advances in the atomistic understanding, mostly through computational simulations, of the structure and dynamics of interfacial water on TiO 2 surfaces. The main focus is on the nature, molecular or dissociated, of water in direct contact with low-index defect-free crystalline surfaces. The hydroxyls resulting from water dissociation are essential in the photooxidation of water and critically affect the surface chemistry of TiO 2. Expected final online publication date for the Annual Review of Physical Chemistry, Volume 75 is April 2024. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.
科研通智能强力驱动
Strongly Powered by AbleSci AI