Abstract
Here we report the structural and electronic properties of AunSn (n=2–13) clusters by using pseudo-potential and LCAO–MO method. A comparison between the structures of Aun and AunSn clusters reveals that while Aun clusters favor planar isomers up to n=13, AunSn clusters follow a different trend; 3D structure for n=3 and 4, quasi planar in the size range n=5–11, and again 3D isomers from n=12 onwards. Enhanced contribution of Au p-orbital and significant charge transfer from Sn to the gold atoms is attributed for such interesting growth pattern of AunSn clusters.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.