(PbS)32 : A baby crystal

Type of Publication: Journal article
Publication status: Published
Author: Kiran, Boggavarapu; Kandalam, Anil K.; Rallabandi, Rameshu; Koirala, Pratik; Li, Xiang; Tang, Xin; Wang, Yi; Fairbrother, Howard; Gantefoer, Gerd; Bowen, Kit
Year of publication: 2012
Published in: The Journal of Chemical Physics ; 136 (2012), 2. - 024317. - American Institute of Physics (AIP). - ISSN 0021-9606. - eISSN 1089-7690
Pubmed ID: 22260589
DOI (citable link): https://dx.doi.org/10.1063/1.3672166
Summary:
Theoretical calculations based on density functional theory have found (PbS)32 to be the smallest cubic cluster for which its inner (PbS)4 core enjoys bulk-like coordination. Cubic (PbS)32 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)32 cluster further provide a rubric for understanding the pattern of aggregation when (PbS)32 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)32 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.
Subject (DDC): 530 Physics
Bibliography of Konstanz: Yes
Refereed: Yes

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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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