This chapter provides an overview of catalysts in photoelectrochemical (PEC) hydrogen production, focusing on their design, characteristics, and applications. It starts with an introduction to PEC H2 production and the need for catalysts. The main section discusses various catalysts, such as nanostructured metal oxides, metal–organic frameworks, perovskites, chalcogenides, and MXenes, emphasizing their unique properties and roles in enhancing the PEC performance. The chapter also addresses challenges in commercializing the PEC H2 production and explores prospects in catalyst development. The conclusion comprises key insights and suggests pathways for advancing PEC technology, highlighting the chapter’s importance to the scientific community.