Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.3267473
Title: Strain effects on work functions of pristine and potassium-decorated carbon nanotubes
Authors: Cai, Y. 
Zhang, A. 
Ping Feng, Y. 
Zhang, C. 
Fatt Teoh, H.
Wei Ho, G. 
Issue Date: 2009
Source: Cai, Y., Zhang, A., Ping Feng, Y., Zhang, C., Fatt Teoh, H., Wei Ho, G. (2009). Strain effects on work functions of pristine and potassium-decorated carbon nanotubes. Journal of Chemical Physics 131 (22) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.3267473
Abstract: Strain dependence of electronic structures and work functions of both pristine and potassium doped (5,5) (armchair) and (9,0) (zigzag) carbon nanotubes (CNTs) has been thoroughly studied using first-principles calculations based on density functional theory. We found that for pristine cases, the uniaxial strain has strong effects on work functions of CNTs, and the responses of work functions of CNT (5,5) and (9,0) to the strain are distinctly different. When the strain changes from -10% to 10%, the work function of the CNT (5,5) increases monotonically from 3.95 to 4.57 eV, and the work function of the (9,0) varies between 4.27 and 5.24 eV in a complicated manner. When coated with potassium, for both CNTs, work functions can be lowered down by more than 2.0 eV, and the strain dependence of work functions changes drastically. Our studies suggested that the combination of chemical coating and tuning of strain may be a powerful tool for controlling work functions of CNTs, which in turn will be useful in future design of CNT-based electronic and field-emitting devices. © 2009 American Institute of Physics.
Source Title: Journal of Chemical Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/57522
ISSN: 00219606
DOI: 10.1063/1.3267473
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