Sulfur dioxide molecule sensors based on zigzag graphene nanoribbons with and without Cr dopant

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• 作者：Li Shao ; Guangde Chen ; Honggang Ye ; Haibo Niu ; Yelong Wu ; Youzhang Zhu ; Bingjun Ding
• 关键词：Graphene nanoribbon ; SO2 ; Molecule sensor ; First principle
• 刊名：Physics Letters A
• 出版年：31 January, 2014
• 年：2014
• 卷：378
• 期：7-8
• 页码：667-671
• 全文大小：1510 K

文摘

Structure, electronic, and transport properties of sulfur dioxide (SO₂) molecule adsorbed on pure and Cr doped zigzag graphene nanoribbons (ZGNRs) are investigated by means of first principle density functional theory and nonequilibrium Green始s function computations. It is found that Cr doped ZGNR is more sensitive to SO₂ molecule than pure ZGNR. The pure ZGNRs with and without SO₂ molecule show similar I-V curves, but the current of Cr doped ZGNR will significant increase after SO₂ molecule adsorption.