Publikation: (PbS)32 : A baby crystal
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2012
Autor:innen
Kiran, Boggavarapu
Kandalam, Anil K.
Rallabandi, Rameshu
Koirala, Pratik
Li, Xiang
Tang, Xin
Wang, Yi
Fairbrother, Howard
Bowen, Kit
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The Journal of Chemical Physics. American Institute of Physics (AIP). 2012, 136(2), 024317. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.3672166
Zusammenfassung
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.
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KIRAN, Boggavarapu, Anil K. KANDALAM, Rameshu RALLABANDI, Pratik KOIRALA, Xiang LI, Xin TANG, Yi WANG, Howard FAIRBROTHER, Gerd GANTEFÖR, Kit BOWEN, 2012. (PbS)32 : A baby crystal. In: The Journal of Chemical Physics. American Institute of Physics (AIP). 2012, 136(2), 024317. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.3672166BibTex
@article{Kiran2012-01-14cryst-49271,
year={2012},
doi={10.1063/1.3672166},
title={(PbS)<sub>32</sub> : A baby crystal},
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 Ganteför, Gerd and Bowen, Kit},
note={Article Number: 024317}
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<dcterms:abstract xml:lang="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.</dcterms:abstract>
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