Modulating magnetic characteristics of Pt embedded graphene by gas adsorption (N2, O2, NO2, SO2)
Modulating magnetic characteristics of Pt embedded graphene by gas adsorption (N2, O2, NO2, SO2)
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DOI：
10.1016/j.apsusc.2013.10.189
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发表时间：
2014-01-15
影响因子：
6.7
通讯作者：
Chung, Yong-Chae
中科院分区：
文献类型：
--
作者：
Lee, Youngbin;Lee, Sangho;Chung, Yong-Chae
利用第一性原理密度泛函理论（DFT）研究了气体吸附对铂掺杂石墨烯（pt -石墨烯）体系磁性能变化的影响。四种化学吸附气体分子（N-2, O-2, NO2, SO2）分别在pt -石墨烯上诱导出不同类型的磁性。对于N-2的吸附，没有自旋极化。然而，在其他情况下，自旋极化的发生改变了磁性能。O-2吸附导致气体分子的局部极化，NO2和SO2吸附在pt -石墨烯上引入两种类型的完全极化。此外，在后两种情况下，发现了气体和pt -石墨烯自旋方向的有趣差异。NO2吸附诱导的自旋方向与底物相同，而SO2吸附诱导的自旋方向相反。因此，根据吸附气体分子的类型，这些pt -石墨烯磁性能的差异有望在气体传感器或自旋电子器件的应用中发挥重要作用。(C) 2013 Elsevier B.V.版权所有
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.