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.
Journal Section | Articles |
---|---|
Authors | |
Publication Date | August 15, 2018 |
Published in Issue | Year 2018 Volume: 22 Issue: 2 |
e-ISSN :1308-6529
Linking ISSN (ISSN-L): 1300-7688
All published articles in the journal can be accessed free of charge and are open access under the Creative Commons CC BY-NC (Attribution-NonCommercial) license. All authors and other journal users are deemed to have accepted this situation. Click here to access detailed information about the CC BY-NC license.