NH<sub>3</sub> and NO<sub>2</sub> adsorption analysis of GaN nanotube: A first principle investigation

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NH₃ and NO₂ adsorption analysis of GaN nanotube: A first principle investigation

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作者：Md. Shahzad Khan ; Anurag Srivastava
关键词：Density functional theory ; Mulliken charges ; Binding energy ; Adsorption ; GaN ; Nanotube
刊名：Journal of Electroanalytical Chemistry
出版年：2016
出版时间：15 August 2016
年：2016
卷：775
期：Complete
页码：243-250
全文大小：1766 K

文摘

•: Single walled gallium nitride nanotube has been theoretically investigated.
•: NH₃ and NO₂ sit on nanotube surface via strong physisorption.
•: NO₂ is found to have strong effect on electronic properties of GaN nanotube.
•: The sensitivity of GaN nanotube for adsorbed NH₃ and NO₂ are validated by respective reduction and enhancement in conductivity.

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