Fundamentals of TiO₂ Photocatalysis: Concepts, Mechanisms, and Challenges.

Abstract

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.