Abstract
We present a comprehensive theoretical study---within the framework of an ab initio density-functional-theory method---of the structural, stability, and electronic properties of thin ${\text{TiO}}_{2}$ nanowires. We consider nanowires with $⟨001⟩$ growth direction with several perimeters and surface-facet configurations. We use a stability analysis of the results obtained for these nanowires to determine the most stable geometries. Our results show that nanowire with the square cross section is the least stable among the octagonal, hexagonal, and round shape nanowires studied. We show that the perimeter of the nanowires is an important dimensional parameter when considering stability and that the surface facets play a central role on the energetics and stability of the nanowires.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
