Title
Morphological transformations and fusion of PbSe nanocrystals studied using atomistic simulations
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Washington ,
Subject
Physics
Source (journal)
Nano letters / American Chemical Society. - Washington
Volume/pages
10(2010) :10 , p. 3966-3971
ISSN
1530-6984
ISI
000282727600028
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
Molecular dynamics simulations are performed on capped and uncapped PbSe nanocrystals, employing newly developed classical interaction potentials. Here, we show that two uncapped nanocrystals fuse efficiently via direct surface attachment, even if they are initially misaligned. In sharp contrast to the general belief, interparticle dipole interactions do not play a significant role in this oriented attachment process. Furthermore, it is shown that presumably polar, capped PbSe{111} facets are never fully Pb- or Se-terminated.
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