Abstract
The stability and electronic properties of the pristine wurtzite (WZ) and zinc-blende (ZB) structural ZnS nanowires are investigated and compared by using first-principles approaches. It shows that the WZ–ZnS nanowire is more stable energetically than the ZB–ZnS nanowire. The two kinds of ZnS nanowires have different electronic properties due to both the quantum confinement effect and the surface effect. The band gaps of pristine WZ nanowires become larger than that of the corresponding bulk ZnS, while those of ZB nanowires are smaller. The electronic properties of the hydrogen-passivated WZ–ZnS and ZB–ZnS nanowires are further calculated. The underlying physical reason for their energetic and electronic structures is elucidated.
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.
