Experimental and Theoretical Studies of ZnO Nanotubes: an Approach to Chemical Physics Characterization of ZnONTs, Including Morphology, Piezoelectric, and Density of States

M. Monajjemi, S. Mohammadi, S. Shahriari, F. Mollaamin

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B(2024)

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摘要
An experimental and theoretical study of the growth of hexagonal ZnO nanotube arrays using a sol gel method and also quantume mechanics and molecular mechanices QM/MM simulation was done by this work. The detailed results of the observed electric output from the calculated piezoelectric potential in the nanotube agrees with that had previously been discussed for nanowires were confirmed. Moreover, double-walled zinc oxide nanotube was used for a theoretic study of a cylindrical molecular capacitor, including an inner cylinder with a positive charge distribution and an outer cylinder with a negative charge distribution based on the experimental fabrication of ZnONTs. Although the SWZnONTs@SWZnONTs behave like Nano cylindrical capacitors, it has been shown in this study that they are not sensitive electrical storage devices compared to SWCNTs. On the other hand using a dopant such as GaN in the DWZnONTs as GaN-DWZnONTs exhibited significant enhancement in the capacitance of these types of capacitors.
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关键词
zinc oxide nanotube,cylindrical molecular capacitor,gallium nitride,piezoelectric potential,hexagonal ZnO proprties
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