Morphological Transformations and Fusion of PbSe Nanocrystals Studied Using Atomistic Simulations

被引：76

作者：

Schapotschnikow, Philipp ^{[2
]}

van Huis, Marijn A. ^{[1
,3
]}

Zandbergen, Henny W. ^{[1
]}

Vanmaekelbergh, Daniel ^{[4
]}

Vlugt, Thijs J. H. ^{[2
]}

机构：

[1] Delft Univ Technol, Kavli Inst Nanosci, NL-2628 CJ Delft, Netherlands

[2] Delft Univ Technol, Proc & Energy Lab, NL-2628 CA Delft, Netherlands

[3] Univ Antwerp, EMAT, B-2020 Antwerp, Belgium

[4] Univ Utrecht, Debye Inst NanoMat Sci, NL-3508 TH Utrecht, Netherlands

来源：

NANO LETTERS | 2010年 / 10卷 / 10期

关键词：

Nanocrystal fusion; PbSe; polar surfaces; molecular dynamics; force field; STRUCTURAL PHASE-TRANSITIONS; QUANTUM-DOT PHOTODETECTORS; HIGH-PRESSURE; NANOPARTICLE SUPERLATTICES; ORIENTED ATTACHMENT; LEAD CHALCOGENIDES; CDSE NANOCRYSTALS; NANOWIRES; SOLIDS; ORGANIZATION;

D O I：

10.1021/nl101793b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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

引用

页码：3966 / 3971

页数：6

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