Reassessing structural models of graphitic carbon nitride for reliable photocatalytic predictions

Key Points

• The central aim is to improve the accuracy of predictions related to the photocatalytic performance of graphitic carbon nitride.
• Analyzed structural models of graphitic carbon nitride.
• Evaluated photocatalytic properties under visible light.
• Compared performance metrics for hydrogen production and remediation.
• Identified key structural features that predict photocatalytic efficiency.
• Demonstrated significant potential for optimized designs in sustainable applications.