Growth Mechanism of Five-Fold Twinned Ag Nanowires from Multiscale Theory and Simulations

Qi, Xin; Chen, Zihao; Yan, Tianyu; Fichthorn, Kristen A.

doi:10.1021/acsnano.9b00820

Title: Growth Mechanism of Five-Fold Twinned Ag Nanowires from Multiscale Theory and Simulations

Abstract

Five-fold twinned metal nanowires can be synthesized with high aspect ratios via solution-phase methods. The origins of their anisotropic growth, however, are poorly understood. Here, we combine atomic-scale, mesoscale, and continuum theoretical methods to predict growth morphologies of Ag nanowires from seeds and to demonstrate that high aspect ratio nanowires can originate from anisotropic surface diffusion induced by the strained nanowire structure. Nanowire seeds are similar to Marks decahedra, with {111} “notches” that accelerate diffusion along the nanowire axis to facilitate one-dimensional growth. The strain distribution on the {111} facets induces heterogeneous atom aggregation and leads to atom trapping at the nanowire ends. We predict that decahedral Ag seeds can grow to become nanowires with aspect ratios in the experimental range. Our studies show that there is a complex interplay between atom deposition, diffusion, seed architecture, and nanowire aspect ratio that could be manipulated experimentally to achieve controlled nanowire syntheses.

Authors:

Qi, Xin ^[1]; Chen, Zihao ^[1]; Yan, Tianyu ^[1];

^[1]

Pennsylvania State Univ., University Park, PA (United States)

Publication Date:: Thu Mar 14 00:00:00 EDT 2019

Research Org.:: Pennsylvania State Univ., University Park, PA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Science Foundation (NSF)

OSTI Identifier:: 1594111

Grant/Contract Number:: FG02-07ER46414; DGE-1449785

Resource Type:: Accepted Manuscript

Journal Name:: ACS Nano

Additional Journal Information:: Journal Volume: 13; Journal Issue: 4; Journal ID: ISSN 1936-0851

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 77 NANOSCIENCE AND NANOTECHNOLOGY; nanocrystal; nanowire; molecular dynamics; kinetics; growth; Markov chain

Citation Formats


                    Qi, Xin, Chen, Zihao, Yan, Tianyu, and Fichthorn, Kristen A. Growth Mechanism of Five-Fold Twinned Ag Nanowires from Multiscale Theory and Simulations.  United States: N. p., 2019. 
Web.  doi:10.1021/acsnano.9b00820.

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                    Qi, Xin, Chen, Zihao, Yan, Tianyu, & Fichthorn, Kristen A. Growth Mechanism of Five-Fold Twinned Ag Nanowires from Multiscale Theory and Simulations.  United States.  https://doi.org/10.1021/acsnano.9b00820

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                    Qi, Xin, Chen, Zihao, Yan, Tianyu, and Fichthorn, Kristen A. Thu .  
"Growth Mechanism of Five-Fold Twinned Ag Nanowires from Multiscale Theory and Simulations".  United States.  https://doi.org/10.1021/acsnano.9b00820.  https://www.osti.gov/servlets/purl/1594111.

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@article{osti_1594111,

  title        = {Growth Mechanism of Five-Fold Twinned Ag Nanowires from Multiscale Theory and Simulations},

  author       = {Qi, Xin and Chen, Zihao and Yan, Tianyu and Fichthorn, Kristen A.},

  abstractNote = {Five-fold twinned metal nanowires can be synthesized with high aspect ratios via solution-phase methods. The origins of their anisotropic growth, however, are poorly understood. Here, we combine atomic-scale, mesoscale, and continuum theoretical methods to predict growth morphologies of Ag nanowires from seeds and to demonstrate that high aspect ratio nanowires can originate from anisotropic surface diffusion induced by the strained nanowire structure. Nanowire seeds are similar to Marks decahedra, with {111} “notches” that accelerate diffusion along the nanowire axis to facilitate one-dimensional growth. The strain distribution on the {111} facets induces heterogeneous atom aggregation and leads to atom trapping at the nanowire ends. We predict that decahedral Ag seeds can grow to become nanowires with aspect ratios in the experimental range. Our studies show that there is a complex interplay between atom deposition, diffusion, seed architecture, and nanowire aspect ratio that could be manipulated experimentally to achieve controlled nanowire syntheses.},

  doi          = {10.1021/acsnano.9b00820},

  journal      = {ACS Nano},

  number       = 4,

  volume       = 13,

  place        = {United States},

  year         = {Thu Mar 14 00:00:00 EDT 2019},

  month        = {Thu Mar 14 00:00:00 EDT 2019}

}

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Works referencing / citing this record:

Atomically resolved Au52Cu72(SR)55 nanoalloy reveals Marks decahedron truncation and Penrose tiling surface
journal, January 2020

Song, Yongbo; Li, Yingwei; Li, Hao
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Title: Growth Mechanism of Five-Fold Twinned Ag Nanowires from Multiscale Theory and Simulations

Abstract

Citation Formats

Facile Synthesis of Sub-20 nm Silver Nanowires through a Bromide-Mediated Polyol Method journal, July 2016

Single-Crystal Electrochemistry Reveals Why Metal Nanowires Grow journal, October 2018

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Growth of Silver Nanowires from Solutions: A Cyclic Penta-twinned-Crystal Growth Mechanism journal, May 2005

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Are Nanoparticle Corners Round? journal, August 2015

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Oxidative Etching of Pd Decahedral Nanocrystals with a Penta-twinned Structure and Its Impact on Their Growth Behavior journal, May 2017

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Self-Seeded Growth of Five-Fold Twinned Copper Nanowires: Mechanistic Study, Characterization, and SERS Applications journal, January 2014

Crossover among structural motifs in transition and noble-metal clusters journal, March 2002

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Theoretical foundations of dynamical Monte Carlo simulations journal, July 1991

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