Modulating magnetic characteristics of Pt embedded graphene by gas adsorption (N-2, O-2, NO2, SO2)
- Title
- Modulating magnetic characteristics of Pt embedded graphene by gas adsorption (N-2, O-2, NO2, SO2)
- Author
- 정용재
- Keywords
- Pt doped graphene; Gas adsorption; Magnetic property; DFT; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; CARBON NANOTUBES; DOPED GRAPHENE; LIQUID-METALS; CO; CATALYSTS; MECHANISM
- Issue Date
- 2014-01
- Publisher
- ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
- Citation
- Applied Surface Science, Vol. 289, 15 January 2014, Pages 445-449
- 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. (C) 2013 Elsevier B.V. All rights reserved.
- URI
- https://www.sciencedirect.com/science/article/pii/S016943321302059Xhttp://hdl.handle.net/20.500.11754/47493
- ISSN
- 0169-4332
- DOI
- 10.1016/j.apsusc.2013.10.189
- Appears in Collections:
- COLLEGE OF ENGINEERING[S](공과대학) > MATERIALS SCIENCE AND ENGINEERING(신소재공학부) > Articles
- Files in This Item:
There are no files associated with this item.
- Export
- RIS (EndNote)
- XLS (Excel)
- XML