Fundamentals of TiO₂ Photocatalysis: Concepts, Mechanisms, and Challenges

Photocatalysis has been widely applied in various areas, such as solar cells, water splitting, and pollutant degradation. Therefore, the photochemical mechanisms and basic principles of photocatalysis, especially TiO₂ photocatalysis, have been extensively investigated by various surface science methods in the last decade, aiming to provide important information for TiO₂ photocatalysis under real environmental conditions. Recent progress that provides fundamental insights into TiO₂ photocatalysis at a molecular level is highlighted. Insights into the structures of TiO₂ and the basic principles of TiO₂ photocatalysis are discussed first, which provides the basic concepts of TiO₂ photocatalysis. Following this, details of the photochemistry of three important molecules (oxygen, water, methanol) on the model TiO₂ surfaces are presented, in an attempt to unravel the relationship between charge/energy transfer and bond breaking/forming in TiO₂ photocatalysis. Lastly, challenges and opportunities of the mechanistic studies of TiO₂ photocatalysis at the molecular level are discussed briefly, as well as possible photocatalysis models.