Wire versus tube: Stability of small one-dimensional ZnO nanostructures
This paper presents first-principles calculations for ultrasmall ZnO one-dimensional nanostructures. The calculations were done on ZnO nanowires and single-walled nanotubes with n atoms per periodic unit, where one periodic unit is made up of two ZnO layers. The calculations show that, for small n, a single-walled nanotube has lower energy than a nanowire. A crossover point near n = 38 is predicted. Vibrations and vibrational entropy of competing structures is discussed. © 2007 American Chemical Society.
Shen, X., Allen, P., Muckerman, J., Davenport, J., & Zheng, J. (2007). Wire versus tube: Stability of small one-dimensional ZnO nanostructures. Nano Letters, 7 (8), 2267-2271. https://doi.org/10.1021/nl070788k