(PbS)32 : A baby crystal

Cite This

Files in this item

Files Size Format View

There are no files associated with this item.

KIRAN, Boggavarapu, Anil K. KANDALAM, Rameshu RALLABANDI, Pratik KOIRALA, Xiang LI, Xin TANG, Yi WANG, Howard FAIRBROTHER, Gerd GANTEFOER, Kit BOWEN, 2012. (PbS)32 : A baby crystal. In: The Journal of Chemical Physics. American Institute of Physics (AIP). 136(2), 024317. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.3672166

@article{Kiran2012-01-14cryst-49271, title={(PbS)32 : A baby crystal}, year={2012}, doi={10.1063/1.3672166}, number={2}, volume={136}, issn={0021-9606}, journal={The Journal of Chemical Physics}, author={Kiran, Boggavarapu and Kandalam, Anil K. and Rallabandi, Rameshu and Koirala, Pratik and Li, Xiang and Tang, Xin and Wang, Yi and Fairbrother, Howard and Gantefoer, Gerd and Bowen, Kit}, note={Article Number: 024317} }

(PbS)<sub>32</sub> : A baby crystal Kiran, Boggavarapu Li, Xiang Tang, Xin Bowen, Kit Kandalam, Anil K. Fairbrother, Howard 2012-01-14 Wang, Yi Koirala, Pratik Kiran, Boggavarapu Li, Xiang 2020-04-23T12:06:42Z Bowen, Kit Gantefoer, Gerd Gantefoer, Gerd Fairbrother, Howard Rallabandi, Rameshu Koirala, Pratik eng Theoretical calculations based on density functional theory have found (PbS)<sub>32</sub> to be the smallest cubic cluster for which its inner (PbS)<sub>4</sub> core enjoys bulk-like coordination. Cubic (PbS)<sub>32</sub> is thus a “baby crystal,” i.e., the smallest cluster, exhibiting sixfold coordination, that can be replicated to obtain the bulk crystal. The calculated dimensions of the (PbS)<sub>32</sub> cluster further provide a rubric for understanding the pattern of aggregation when (PbS)<sub>32</sub> clusters are deposited on a suitable surface, i.e., the formation of square and rectangular, crystalline nano-blocks with predictable dimensions. Experiments in which mass-selected (PbS)<sub>32</sub> clusters were soft-landed onto a highly ordered pyrolytic graphite surface and the resulting aggregates imaged by scanning tunneling microscopy provide evidence in direct support of the computational results. Rallabandi, Rameshu Wang, Yi 2020-04-23T12:06:42Z Kandalam, Anil K. Tang, Xin

This item appears in the following Collection(s)

Search KOPS


My Account