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

共 38 条

[1] High pressure structural phase transitions in IV-VI semiconductors [J].

Ahuja, R .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 2003, 235 (02) :341-347

[2] HIGH-PRESSURE X-RAY-DIFFRACTION STUDY ON THE STRUCTURAL PHASE-TRANSITIONS IN PBS, PBSE AND PBTE WITH SYNCHROTRON RADIATION [J].

CHATTOPADHYAY, T ;

VONSCHNERING, HG ;

GROSSHANS, WA ;

HOLZAPFEL, WB .

PHYSICA B & C, 1986, 139 (1-3) :356-360

[3] Designing PbSe nanowires and nanorings through oriented attachment of nanoparticles [J].

Cho, KS ;

Talapin, DV ;

Gaschler, W ;

Murray, CB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (19) :7140-7147

[4] PbSe Nanocrystal Excitonic Solar Cells [J].

Choi, Joshua J. ;

Lim, Yee-Fun ;

Santiago-Berrios, Mitk'El B. ;

Oh, Matthew ;

Hyun, Byung-Ryool ;

Sung, Liangfeng ;

Bartnik, Adam C. ;

Goedhart, Augusta ;

Malliaras, George G. ;

Abruna, Hector D. ;

Wise, Frank W. ;

Hanrath, Tobias .

NANO LETTERS, 2009, 9 (11) :3749-3755

[5] Energetics of Polar and Nonpolar Facets of PbSe Nanocrystals from Theory and Experiment [J].

Fang, Changming ;

van Huis, Marijn A. ;

Vanmaekelbergh, Daniel ;

Zandbergen, Henny W. .

ACS NANO, 2010, 4 (01) :211-218

[6] The General Utility Lattice Program (GULP) [J].

Gale, JD ;

Rohl, AL .

MOLECULAR SIMULATION, 2003, 29 (05) :291-341

[7] GULP: A computer program for the symmetry-adapted simulation of solids [J].

Gale, JD .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1997, 93 (04) :629-637

[8] The hidden role of acetate in the PbSe nanocrystal synthesis [J].

Houtepen, Arjan J. ;

Koole, Rolf ;

Vanmaekelbergh, Daniel ;

Meeldijk, Johannes ;

Hickey, Stephen G. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (21) :6792-6793

[9] Structural and electronic properties of lead chalcogenides from first principles [J].

Hummer, Kerstin ;

Gruneis, Andreas ;

Kresse, Georg .

PHYSICAL REVIEW B, 2007, 75 (19)

[10] High Carrier Densities Achieved at Low Voltages in Ambipolar PbSe Nanocrystal Thin-Film Transistors [J].

Kang, Moon Sung ;

Lee, Jiyoul ;

Norris, David J. ;

Frisbie, C. Daniel .

NANO LETTERS, 2009, 9 (11) :3848-3852

← 1 2 3 4 →