Morphological transformations and fusion of PbSe Nanocrystals studied using atomistic simulations

P Schapotschnikow; MA van Huis; HW Zandbergen; D Vanmaekelbergh; TJH Vlugt

doi:10.1021/nl101793b

Morphological transformations and fusion of PbSe Nanocrystals studied using atomistic simulations

P Schapotschnikow, MA van Huis, HW Zandbergen, D Vanmaekelbergh, TJH Vlugt

Engineering Thermodynamics

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80 Citations (Scopus)

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

Original language	English
Pages (from-to)	3966-3971
Number of pages	6
Journal	Nano Letters: a journal dedicated to nanoscience and nanotechnology
Volume	10
Issue number	10
DOIs	https://doi.org/10.1021/nl101793b
Publication status	Published - 2010

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CWTS JFIS >= 2.00

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10.1021/nl101793b

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AU - Schapotschnikow, P

AU - van Huis, MA

AU - Zandbergen, HW

AU - Vanmaekelbergh, D

AU - Vlugt, TJH

PY - 2010

Y1 - 2010

N2 - 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

AB - 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

KW - CWTS JFIS >= 2.00

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DO - 10.1021/nl101793b

M3 - Article

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JO - Nano Letters: a journal dedicated to nanoscience and nanotechnology

JF - Nano Letters: a journal dedicated to nanoscience and nanotechnology

IS - 10

ER -

Morphological transformations and fusion of PbSe Nanocrystals studied using atomistic simulations

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