- Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi
- Vol: 22 Issue: 2
- Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride
Platinum Adsorption and Diffusion on Two-Dimensional Gallium Nitride
Authors : Fatih Ersan
Pages : 393-396
Doi:10.19113/sdufbed.56851
View : 17 | Download : 6
Publication Date : 2018-08-15
Article Type : Other
Abstract :In this study, we examined the adsorption and diffusion of platinum (Pt) adatom on two-dimensional hexagonal gallium nitride (h-GaN), by using first-principles plane-wave calculations. Two different levels of platinum coverage ratio (θ=1/8 and θ=1/32) were considered and the changes in the electronic structure for high-level platinum coverage ratio (θ=1/8) were examined. Low-level coverage ratio (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 (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