Adsorption sensitivity of metal atom decorated bilayer graphene toward toxic gas molecules (CO, NO, SO<sub>2</sub> and HCN)

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Adsorption sensitivity of metal atom decorated bilayer graphene toward toxic gas molecules (CO, NO, SO₂ and HCN)

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作者：Yanan Tang^a ; ^b ; ^{yntang2010@163.com" class="auth_mail" title="E-mail the corresponding author}Author Vitae ; Zhiyong Liu^b ; ^{021168@htu.cn" class="auth_mail" title="E-mail the corresponding author}Author Vitae ; Zigang Shen^aAuthor Vitae ; Weiguang Chen^aAuthor Vitae ; Dongwei Ma^cAuthor Vitae ; Xianqi Dai^a ; ^b ; ^{xqdaizs@163.com" class="auth_mail" title="E-mail the corresponding author}Author 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

•: Doped Fe atom can turn the electronic and magnetic properties of graphene system.
•: The stable Fe-BG sheets exhibit the strong affinity toward the toxic gas molecules.
•: The adsorbed NO has the largest energy difference between Fe-MG and Fe-BG sheets.
•: The Pt substrate can enhance the magnetic property of adsorbed gas on Fe-graphene.

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