Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride

Authors : Fatih ERSAN

Pages : 393-396

Doi:10.19113/sdufbed.56851

View : 22 | Download : 10

Publication Date : 2018-08-15

Article Type : Research Paper

Abstract :In this study, we examined the adsorption and diffusion of platinum insert ignore into journalissuearticles values(Pt); adatom on two-dimensional hexagonal gallium nitride insert ignore into journalissuearticles values(h-GaN);, by using first-principles plane-wave calculations. Two different levels of platinum coverage ratio insert ignore into journalissuearticles values(θ=1/8 and θ=1/32); were considered and the changes in the electronic structure for high-level platinum coverage ratio insert ignore into journalissuearticles values(θ=1/8); were examined. Low-level coverage ratio insert ignore into journalissuearticles values(θ=1/32); is used to calculate the diffusion barrier energy of Pt adatom on GaN monolayer. Our theoretical calculations have shown that Pt atom strongly binds on the top of nitrogen atoms in GaN monolayer and high energy is required for its diffusion. While GaN monolayer has 2.1 eV indirect band gap insert ignore into journalissuearticles values(Γ→K);, this band gap reduces to 1.3 eV with Pt adsorption. These results may lead to further investigations on forming Pt nanoparticles or Pt coating on GaN sheet.
Keywords : Density functional theory, Pt adsorption, Gallium nitride, Two dimensional materials