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 50 条

[41] Calculation of grain boundary diffusion coefficients in γ U-Mo using atomistic simulations
Hasan, A. T. M. Jahid
Beeler, Benjamin
JOURNAL OF NUCLEAR MATERIALS, 2024, 598
[42] Characterization of Perfluorooctylbromide-Based Nanoemulsion Particles Using Atomistic Molecular Dynamics Simulations
Lee, Sun-Joo
Olsen, Brett
Sehlesinger, Paul H.
Baker, Nathan A.
JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (31) : 10086 - 10096
[43] Rotational Relaxation in ortho-Terphenyl: Using Atomistic Simulations to Bridge Theory and Experiment
Eastwood, Michael P.
Chitra, Tarun
Jumper, John M.
Palmo, Kim
Pan, Albert C.
Shaw, David E.
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 117 (42) : 12898 - 12907
[44] Probing the limits of supramolecular G-quadruplexes using atomistic molecular dynamics simulations
Garcia-Arriaga, Marilyn
Acosta-Santiago, Maxier
Cruz, Antony
Rivera-Rivera, Jose M.
Lopez, Gustavo E.
Rivera, Jose M.
INORGANICA CHIMICA ACTA, 2017, 468 : 209 - 222
[45] Automated Analysis of Continuum Fields from Atomistic Simulations Using Statistical Machine Learning
Prakash, Aruna
Sandfeld, Stefan
ADVANCED ENGINEERING MATERIALS, 2022, 24 (12)
[46] Atomistic Simulations of Polydisperse Lignin Melts Using Simple Polydisperse Residue Input Generator
Sethuraman, Vaidyanathan
Vermaas, Josh V.
Liang, Luna
Ragauskas, Arthur J.
Smith, Jeremy C.
Petridis, Loukas
BIOMACROMOLECULES, 2023, 25 (02) : 767 - 777
[47] Investigation of initial stages of nano-ceramic particle sintering using atomistic simulations
Cheng, Chi-Wei
Shih, Chuan-Feng
Behera, Rakesh K.
Hsu, Wen-Dung
SURFACE & COATINGS TECHNOLOGY, 2013, 231 : 316 - 322
[48] Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing
Pande, VS
Baker, I
Chapman, J
Elmer, SP
Khaliq, S
Larson, SM
Rhee, YM
Shirts, MR
Snow, CD
Sorin, EJ
Zagrovic, B
BIOPOLYMERS, 2003, 68 (01) : 91 - 109
[49] Interaction of Chondroitin and Hyaluronan Glycosaminoglycans with Surfaces of Carboxylated Carbon Nanotubes Studied Using Molecular Dynamics Simulations
Panczyk, Tomasz
Plazinski, Wojciech
Dupradeau, Francois-Yves
Brzyska, Agnieszka
Wolski, Pawel
MOLECULES, 2023, 28 (02):
[50] Coupled binding-bending-folding: The complex conformational dynamics of protein-DNA binding studied by atomistic molecular dynamics simulations
van der Vaart, Arjan
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2015, 1850 (05): : 1091 - 1098

← 1 2 3 4 5 →