Adsorption of platinum oxide (PtO) and platinum dioxide (PtO2) clusters on monolayer aluminium nitride

In this thesis, we first investigate the adsorption properties of single Pt and O atoms and PtO, PtO2, and Pt2O clusters on hexagonal AlN monolayer. We employ density functional theory (DFT) to study electronic structure and charge transfer of h-AlN by considering nonmagnetic (NM) and ferromagnetic (FM) states. PtO and Pt2O adsorbed h-AlN system has FM ground state with 2.00 mB magnetic moment, while PtO2, Pt, and O adsorption lead to NM structures. Pt adsorbed AlN system has the lowest adsorption energy with -3.175 eV indicating the most stable structure energetically. These properties can lead to possible applications in spintronics and nano electronic devices.