Modulating magnetic characteristics of Pt embedded graphene by gas adsorption (N-2, O-2, NO2, SO2)
- Authors
- Lee, Youngbin; Lee, Sangho; Hwang, Yubin; Chung, Yong-Chae
- Issue Date
- Jan-2014
- Publisher
- ELSEVIER
- Keywords
- Pt doped graphene; Gas adsorption; Magnetic property; DFT
- Citation
- APPLIED SURFACE SCIENCE, v.289, pp.445 - 449
- Indexed
- SCIE
SCOPUS
- Journal Title
- APPLIED SURFACE SCIENCE
- Volume
- 289
- Start Page
- 445
- End Page
- 449
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/160957
- DOI
- 10.1016/j.apsusc.2013.10.189
- ISSN
- 0169-4332
- Abstract
- The effect of gas adsorption on the change in magnetic properties of platinum doped graphene (Pt-graphene) system was investigated using first-principles density-functional theory (DFT). Four chemisorbed gas molecules (N-2, O-2, NO2, SO2) on Pt-graphene each induced a different type of magnetic properties. For N-2 adsorption, there was no spin polarization. However, for the other cases, magnetic properties were altered by occurring spin polarization. O-2 adsorption led to local polarization on the gas molecule, and two types of complete polarization were introduced on Pt-graphene by NO2 and SO2 adsorption. Also, in the latter two cases, an interesting difference was found in the spin direction of gas and Pt-graphene. NO2 adsorption induced the same spin direction on the adsorbate and substrate, while SO2 adsorption introduced the opposite spin directions. Thus, these differences in magnetic properties of the Pt-graphene according to the type of adsorbed gas molecules are expected to play a vital role in application as gas sensor or spintronic devices.
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