Add time:08/15/2019 Source:sciencedirect.com
Equilibrium geometries, energetics and stabilities of Lead monoxide (cas 1317-36-8) clusters (PbO)n (n = 5–15) have been investigated using the density functional theory with the hybrid B3LYP functional. The ground state of (PbO)n has the heterofullerene structure with n = 6–12. When n ⩾ 13, the most stable isomer has the stuffed cage structure which is more like a tiny nanoparticle. In particular, (PbO)4, (PbO)6, (PbO)9 and (PbO)13 are predicted as “magic” number clusters with remarkable stability. Moreover, it is predicted that the ground state structure of (PbO)13 can be distinguished by the infra-red spectrum.
We also recommend Trading Suppliers and Manufacturers of Lead monoxide (cas 1317-36-8). Pls Click Website Link as below: cas 1317-36-8 suppliers
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View