Experimental visualization of covalent bonds and structural disorder in a gallium zinc oxynitride photocatalyst (Ga1−xZnx)(N1−xOx): origin of visible light absorption

We present the experimental visualization of covalent bonding, positional disorders and split anion sites in visible-light responsive photocatalyst (Ga(0.885)Zn(0.115))(N(0.885)O(0.115)). ZnO alloying into GaN reduces the band gap, leading to the visible-light response. DFT calculations indicated no significant difference in band gap between structural models with and without split sites.