Structural Features and HER activity of Cadmium Phosphohalides.

We have carried out a combined experimental and theoretical investigation of the structures and properties of a family of cadmium phosphochlorides with varying Cl/Cd and P/Cd ratios, Cd P Cl, Cd P Cl , Cd PCl and Cd P Cl . Their optical band gaps are in the visible region and the values are sensitive to the Cl/Cd and P/Cd ratios, leading to an increase and decrease, respectively. First-principles calculations were used to understand the bonding and electronic structures.

Unique Features of the Photocatalytic Reduction of HO and CO by New Catalysts Based on the Analogues of CdS, CdPX (X = Cl, Br, I).

Photochemical reduction of HO and CO has been investigated with a new family of catalysts of the formula CdPX (X= Cl, Br, I), obtained by the complete aliovalent substitution of the sulfide ions in CdS by P and X (Cl, Br, I). Unlike CdS, the CdPX compounds exhibit hydrogen evolution and CO reduction from water even in the absence of a sacrificial agent or a cocatalyst. Use of NiP as the cocatalyst, enhances hydrogen evolution, reaching 3870 (apparent quantum yield (AQY) = 4.