(PbS)32 : A baby crystal

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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

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