Probing the structures and electronic properties of dual-phosphorus-doped gold cluster anions (AunP2-, n = 1-8): A density functional theory investigation

- Various 2D/3D structures of the doped clusters were examined.
- The higher stability of AunP2- clusters relative to Aun+2- (n = 1-8) clusters was verified.
- The possible evolutionary path of AunP2- (n = 1-8) clusters were explored.
- The electronic properties of AunP2- (n = 1-8) were then investigated.