Orbital engineering in single-atom catalysts: from hybridization principles to electrocatalytic design

Key Points

• This review aims to construct the orbital engineering framework for electrocatalyst design and clarify its implications.
• Systematically reviews existing literature on orbital engineering and its application in electrocatalysis.
• Analyzes traditional descriptors and their limitations in catalyst performance evaluation.
• Proposes new design principles based on hybridization concepts.
• Highlights the need for advanced descriptors that exceed traditional approaches in electrocatalyst design.
• Suggests strategies to guide the rational development of high-performance electrocatalysts.
• Underscores the impact of hybridization principles on improving catalytic activity.