The effect of humidity on the adsorption of the hydrazine on single-wall carbon nanotubes: First-principles electronic structure calculations

• Published in: Chemical physics letters Vol. 518; pp. 93 - 98
• Main Authors: Yu, M., Tian, W.Q., Jayanthi, C.S., Wu, S.Y.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.12.2011
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/j.cplett.2011.10.062

[Display omitted] ► The observed n-type behavior of N2H4 adsorbed on CNT was clarified. ► Humidity has a significant effect in altering electronic structure of N2H4/CNT. ► In the presence of moisture, N2H4 creates occupied states at the bottom of the CB. ► The created occupied impurity states lead to the n-type behavior. ► The role of the moisture in the adsorption of other gases on CNT was also studied. First-principles electronic structure calculations were undertaken to clarify the observed n-type behavior of the hydrazine (N2H4) adsorbed on zigzag carbon nanotubes (CNTs). It was found that, only in the presence of moisture, the adsorption of the hydrazine will introduce occupied impurity states near the bottom of the conduction band of the N2H4/CNT system, leading to the n-type behavior. To gain further insight into the role played by the moisture, an extension of this study to other gases adsorbed on CNTs was also performed. Our results suggest that humidity could affect experimental measurements of responses of CNTs to adsorbed gases.