Structural Features and HER activity of Cadmium Phosphohalides

Area of Science:

• Materials Science
• Inorganic Chemistry
• Photochemistry

Background:

• Cadmium phosphochlorides are novel semiconductor materials.
• Tuning material properties is crucial for photocatalysis.

Purpose of the Study:

• Investigate structures and properties of cadmium phosphochlorides.
• Evaluate their potential for water splitting and hydrogen evolution.

Main Methods:

• Combined experimental and theoretical approaches.
• First-principles calculations for electronic structure.
• Photoelectrochemical measurements.

Main Results:

• Synthesized Cd2P3Cl, Cd4P2Cl3, Cd3PCl3, and Cd7P4Cl6.
• Optical band gaps tunable in the visible region.
• Cd7P4Cl6 exhibits highest hydrogen evolution reaction activity (20.1% apparent quantum yield).

Conclusions:

• Cadmium phosphochlorides are promising for visible-light-driven hydrogen production.
• Composition significantly impacts electronic and photocatalytic properties.
• Cd7P4Cl6 is a highly active photocatalyst for water splitting.