A comprehensive understanding of the chemical vapour deposition of cadmium chalcogenides using Cd[(C 6 H 5 ) 2 PSSe] 2 single-source precursor: a density functional theory approach

摘要

Background The phosphinato complexes of group IIB are of great interest for their potential toward technological applications. A gas phase mechanistic investigation of the chemical vapour deposition of cadmium chalcogenides from the decomposition of Cd[(C6H5)2PSSe]2, as a single source precursor is carried out and reported herein within the framework of density functional theory at the M06/LACVP* level of theory.