Adsorption sensitivity of metal atom decorated bilayer graphene toward toxic gas molecules (CO, NO, SO2 and HCN)
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- 作者：Yanan Tanga ; b ; yntang2010@163.com" class="auth_mail" title="E-mail the corresponding authorAuthor Vitae ; Zhiyong Liub ; 021168@htu.cn" class="auth_mail" title="E-mail the corresponding authorAuthor Vitae ; Zigang ShenaAuthor Vitae ; Weiguang ChenaAuthor Vitae ; Dongwei MacAuthor Vitae ; Xianqi Daia ; b ; xqdaizs@163.com" class="auth_mail" title="E-mail the corresponding authorAuthor Vitae
- 关键词：First-principles calculations ; Fe-embedded graphene ; Chemical sensor ; Toxic gas molecule ; Electronic structure
- 刊名：Sensors & Actuators: B. Chemical
- 出版年：2017
- 出版时间：January 2017
- 年：2017
- 卷：238
- 期：Complete
- 页码：182-195
- 全文大小：5430 K
文摘
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Doped Fe atom can turn the electronic and magnetic properties of graphene system.
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The stable Fe-BG sheets exhibit the strong affinity toward the toxic gas molecules.
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The adsorbed NO has the largest energy difference between Fe-MG and Fe-BG sheets.
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The Pt substrate can enhance the magnetic property of adsorbed gas on Fe-graphene.