Diffusion growth mechanism of penta-twinned Ag nanocrystals from decahedral seeds

Cui, Jianming; Phul, Saksham; Fichthorn, Kristen A.

doi:10.1063/5.0146305

Diffusion growth mechanism of penta-twinned Ag nanocrystals from decahedral seeds

Journal Article · Mon Apr 24 00:00:00 EDT 2023 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/5.0146305· OSTI ID:2395911

Cui, Jianming ^[1]; ^[2]; ^[2]

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

Crystals with penta-twinned structures can be produced from diverse fcc metals, but the mechanisms that control the final product shapes are still not well understood. By using the theory of absorbing Markov chains to account for the growth of penta-twinned decahedral seeds via atom deposition and surface diffusion, we predicted the formation of various types of products: decahedra, nanorods, and nanowires. We showed that the type of product depends on the morphology of the seed and that small differences between various seed morphologies can lead to significantly different products. For the case of uncapped decahedra seeds, we compared predictions from our model to nanowire morphologies obtained in two different experiments and obtained favorable agreement. Finally, possible extensions of our model are indicated.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: FG02-07ER46414

OSTI ID:: 2395911

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 16 Vol. 158; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (71)

Penta-Twinned Copper Nanorods: Facile Synthesis via Seed-Mediated Growth and Their Tunable Plasmonic Properties Luo, Ming; Ruditskiy, Aleksey; Peng, Hsin-Chieh Advanced Functional Materials, Vol. 26, Issue 8 https://doi.org/10.1002/adfm.201504217	journal	January 2016
Highly Stable Ag–Au Core–Shell Nanowire Network for ITO‐Free Flexible Organic Electrochromic Device Huang, Shengyun; Liu, Yannan; Jafari, Maziar Advanced Functional Materials, Vol. 31, Issue 14 https://doi.org/10.1002/adfm.202010022	journal	January 2021
A Highly Stretchable and Real‐Time Healable Supercapacitor Chen, Chuan‐Rui; Qin, Haili; Cong, Huai‐Ping Advanced Materials, Vol. 31, Issue 19 https://doi.org/10.1002/adma.201900573	journal	March 2019
Low‐Voltage Electrical Heater Based on One‐Step Fabrication of Conductive Cu Nanowire Networks for Application in Wearable Devices Guo, Zhiguang; Sun, Chao; Zhao, Jing Advanced Materials Interfaces, Vol. 8, Issue 3 https://doi.org/10.1002/admi.202001695	journal	December 2020
Flexible Transparent Electrodes Based on Silver Nanowires: Material Synthesis, Fabrication, Performance, and Applications Zhu, Yuwen; Deng, Yujun; Yi, Peiyun Advanced Materials Technologies, Vol. 4, Issue 10 https://doi.org/10.1002/admt.201900413	journal	August 2019
Mapping the Progress in Flexible Electrodes for Wearable Electronic Textiles: Materials, Durability, and Applications Liman, Md Luthfar Rahman; Islam, M. Tauhidul; Hossain, Md Milon Advanced Electronic Materials, Vol. 8, Issue 1 https://doi.org/10.1002/aelm.202100578	journal	September 2021
Shape-Controlled Synthesis of Metal Nanocrystals: Simple Chemistry Meets Complex Physics? Xia, Younan; Xiong, Yujie; Lim, Byungkwon Angewandte Chemie International Edition, Vol. 48, Issue 1, p. 60-103 https://doi.org/10.1002/anie.200802248	journal	December 2008
Twin Pathways: Discerning the Origins of Multiply Twinned Colloidal Nanoparticles Du, Jingshan S.; Zhou, Wenjie; Rupich, Sara M. Angewandte Chemie International Edition, Vol. 60, Issue 13 https://doi.org/10.1002/anie.202015166	journal	February 2021
A Comprehensive Study of Formic Acid Oxidation on Palladium Nanocrystals with Different Types of Facets and Twin Defects Choi, Sang-Il; Herron, Jeffrey A.; Scaranto, Jessica ChemCatChem, Vol. 7, Issue 14 https://doi.org/10.1002/cctc.201500094	journal	April 2015
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Aspect Ratio Control of Copper Nanowire via Solution Process and Its Flexible Transparent Conductive Electrode Applications Chee, Sang-Soo; Kim, Hyesoo; Son, Myungwoo Electronic Materials Letters, Vol. 16, Issue 4 https://doi.org/10.1007/s13391-020-00223-2	journal	May 2020
Gold nanorods: Their potential for photothermal therapeutics and drug delivery, tempered by the complexity of their biological interactions Alkilany, Alaaldin M.; Thompson, Lucas B.; Boulos, Stefano P. Advanced Drug Delivery Reviews, Vol. 64, Issue 2 https://doi.org/10.1016/j.addr.2011.03.005	journal	February 2012
Accelerating electrochemistry with metal nanowires Kim, Myung Jun; Cruz, Mutya A.; Yang, Feichen Current Opinion in Electrochemistry, Vol. 16 https://doi.org/10.1016/j.coelec.2019.03.005	journal	August 2019
One-pot hydrothermal synthesis of silver nanowires via citrate reduction Yang, Zhiqiang; Qian, Haijun; Chen, Hongyu Journal of Colloid and Interface Science, Vol. 352, Issue 2 https://doi.org/10.1016/j.jcis.2010.08.072	journal	December 2010
A dynamic model for evolution of crystal shape Gadewar, Sagar B.; Doherty, Michael F. Journal of Crystal Growth, Vol. 267, Issue 1-2 https://doi.org/10.1016/j.jcrysgro.2004.03.019	journal	June 2004
Synthesis of gold nanorods and nanowires by a microwave–polyol method Tsuji, Masaharu; Hashimoto, Masayuki; Nishizawa, Yuki Materials Letters, Vol. 58, Issue 17-18 https://doi.org/10.1016/j.matlet.2004.02.020	journal	July 2004
Dodecylamine-mediated synthesis and growth mechanism of copper nanowires with an aspect ratio of over 10000 Li, Yao; Fan, Zhengyang; Yuan, Ximin Materials Letters, Vol. 274 https://doi.org/10.1016/j.matlet.2020.128029	journal	September 2020
Decahedral nanocrystals of noble metals: Synthesis, characterization, and applications Zhou, Shan; Zhao, Ming; Yang, Tung-Han Materials Today, Vol. 22 https://doi.org/10.1016/j.mattod.2018.04.003	journal	January 2019
Flexible electrochromic device with simple solution processed stable silver Shinde, Mahesh A.; Kim, Haekyoung Synthetic Metals, Vol. 254 https://doi.org/10.1016/j.synthmet.2019.05.017	journal	August 2019
How Copper Nanowires Grow and How To Control Their Properties Ye, Shengrong; Stewart, Ian E.; Chen, Zuofeng Accounts of Chemical Research, Vol. 49, Issue 3 https://doi.org/10.1021/acs.accounts.5b00506	journal	February 2016
Gold Nanobipyramids: An Emerging and Versatile Type of Plasmonic Nanoparticles Chow, Tsz Him; Li, Nannan; Bai, Xiaopeng Accounts of Chemical Research, Vol. 52, Issue 8 https://doi.org/10.1021/acs.accounts.9b00230	journal	August 2019
A Possible Oriented Attachment Growth Mechanism for Silver Nanowire Formation Murph, Simona E. Hunyadi; Murphy, Catherine J.; Leach, Austin Crystal Growth & Design, Vol. 15, Issue 4 https://doi.org/10.1021/acs.cgd.5b00123	journal	March 2015
Bromide Causes Facet-Selective Atomic Addition in Gold Nanorod Syntheses Brown, Micah; Wiley, Benjamin J. Chemistry of Materials, Vol. 32, Issue 15 https://doi.org/10.1021/acs.chemmater.0c01494	journal	June 2020
Modulating the Growth Rate, Aspect Ratio, and Yield of Copper Nanowires with Alkylamines Kim, Myung Jun; Alvarez, Samuel; Yan, Tianyu Chemistry of Materials, Vol. 30, Issue 8 https://doi.org/10.1021/acs.chemmater.8b00760	journal	March 2018
Strain Relaxation-Induced Twin Interface Migration and Morphology Evolution of Silver Nanoparticles Song, Miao; Wu, Zhigang; Lu, Ning Chemistry of Materials, Vol. 31, Issue 3 https://doi.org/10.1021/acs.chemmater.8b03984	journal	January 2019
Theory of Anisotropic Metal Nanostructures Fichthorn, Kristen A. Chemical Reviews, Vol. 123, Issue 7 https://doi.org/10.1021/acs.chemrev.2c00831	journal	March 2023
Shapes and Shape Transformations of Solution-Phase Metal Particles in the Sub-nanometer to Nanometer Size Range: Progress and Challenges Fichthorn, Kristen A.; Yan, Tianyu The Journal of Physical Chemistry C, Vol. 125, Issue 7 https://doi.org/10.1021/acs.jpcc.0c10159	journal	January 2021
Recent Progress in Cancer Thermal Therapy Using Gold Nanoparticles Abadeer, Nardine S.; Murphy, Catherine J. The Journal of Physical Chemistry C, Vol. 120, Issue 9 https://doi.org/10.1021/acs.jpcc.5b11232	journal	February 2016
Control of Symmetry Breaking Size and Aspect Ratio in Gold Nanorods: Underlying Role of Silver Nitrate Tong, Wenming; Walsh, Michael J.; Mulvaney, Paul The Journal of Physical Chemistry C, Vol. 121, Issue 6 https://doi.org/10.1021/acs.jpcc.6b10343	journal	February 2017
Silver Nanoparticles with Many Sharp Apexes and Edges as Efficient Nanoresonators for Shell-Isolated Nanoparticle-Enhanced Raman Spectroscopy Kołątaj, Karol; Krajczewski, Jan; Kudelski, Andrzej The Journal of Physical Chemistry C, Vol. 121, Issue 22 https://doi.org/10.1021/acs.jpcc.7b02695	journal	May 2017
Understanding the Solution-Phase Growth of Cu and Ag Nanowires and Nanocubes from First Principles Fichthorn, Kristen A.; Chen, Zihao; Chen, Zhifeng Langmuir, Vol. 37, Issue 15 https://doi.org/10.1021/acs.langmuir.1c00384	journal	April 2021
How Structure-Directing Agents Control Nanocrystal Shape: Polyvinylpyrrolidone-Mediated Growth of Ag Nanocubes Qi, Xin; Balankura, Tonnam; Zhou, Ya Nano Letters, Vol. 15, Issue 11 https://doi.org/10.1021/acs.nanolett.5b04204	journal	October 2015
Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size Rahm, J. Magnus; Erhart, Paul Nano Letters, Vol. 17, Issue 9 https://doi.org/10.1021/acs.nanolett.7b02761	journal	August 2017
Synthesis of Silver Nanowires with Reduced Diameters Using Benzoin-Derived Radicals to Make Transparent Conductors with High Transparency and Low Haze Niu, Zhiqiang; Cui, Fan; Kuttner, Elisabeth Nano Letters, Vol. 18, Issue 8 https://doi.org/10.1021/acs.nanolett.8b02479	journal	July 2018
Stretchable and Transparent Kirigami Conductor of Nanowire Percolation Network for Electronic Skin Applications Won, Phillip; Park, Jung Jae; Lee, Taemin Nano Letters, Vol. 19, Issue 9 https://doi.org/10.1021/acs.nanolett.9b02014	journal	August 2019
Synthesis of Citrate-Coated Penta-twinned Palladium Nanorods and Ultrathin Nanowires with a Tunable Aspect Ratio Mastronardi, Valentina; Udayan, Gayatri; Cibecchini, Giulia ACS Applied Materials & Interfaces, Vol. 12, Issue 44 https://doi.org/10.1021/acsami.0c11597	journal	October 2020
Highly Transparent Conductive Reduced Graphene Oxide/Silver Nanowires/Silver Grid Electrodes for Low-Voltage Electrochromic Smart Windows Mallikarjuna, Koduru; Kim, Haekyoung ACS Applied Materials & Interfaces, Vol. 11, Issue 2 https://doi.org/10.1021/acsami.8b14086	journal	December 2018
Direction-Controlled Growth of Five-Fold Ag and Ag/Au Nanocrystals: Implications for Transparent Conductive Films Hu, Die; Qin, Fengqi; Liu, Jialiang ACS Applied Nano Materials, Vol. 5, Issue 1 https://doi.org/10.1021/acsanm.1c03620	journal	January 2022
Solar-Powered Sustainable Water Production: State-of-the-Art Technologies for Sunlight–Energy–Water Nexus Li, Zhengtong; Xu, Xingtao; Sheng, Xinran ACS Nano, Vol. 15, Issue 8 https://doi.org/10.1021/acsnano.1c01590	journal	July 2021
Solution-Phase Growth of Cu Nanowires with Aspect Ratios Greater Than 1000: Multiscale Theory Kim, Junseok; Cui, Jianming; Fichthorn, Kristen A. ACS Nano, Vol. 15, Issue 11 https://doi.org/10.1021/acsnano.1c07425	journal	November 2021
Facile Synthesis of Sub-20 nm Silver Nanowires through a Bromide-Mediated Polyol Method da Silva, Robson Rosa; Yang, Miaoxin; Choi, Sang-Il ACS Nano, Vol. 10, Issue 8 https://doi.org/10.1021/acsnano.6b03806	journal	July 2016
Growth Mechanism of Five-Fold Twinned Ag Nanowires from Multiscale Theory and Simulations Qi, Xin; Chen, Zihao; Yan, Tianyu ACS Nano, Vol. 13, Issue 4 https://doi.org/10.1021/acsnano.9b00820	journal	March 2019
Unveiling Growth Pathways of Multiply Twinned Gold Nanoparticles by In Situ Liquid Cell Transmission Electron Microscopy Ma, Xiaoming; Lin, Fang; Chen, Xin ACS Nano, Vol. 14, Issue 8 https://doi.org/10.1021/acsnano.9b10173	journal	July 2020
Stepwise Growth of Decahedral and Icosahedral Silver Nanocrystals in DMF Tsuji, Masaharu; Ogino, Masatoshi; Matsuo, Ryoichi Crystal Growth & Design, Vol. 10, Issue 1 https://doi.org/10.1021/cg9009042	journal	October 2009
The Quest for Shape Control: A History of Gold Nanorod Synthesis Lohse, Samuel E.; Murphy, Catherine J. Chemistry of Materials, Vol. 25, Issue 8 https://doi.org/10.1021/cm303708p	journal	March 2013
Single-Crystal Electrochemistry Reveals Why Metal Nanowires Grow Kim, Myung Jun; Alvarez, Samuel; Chen, Zihao Journal of the American Chemical Society, Vol. 140, Issue 44 https://doi.org/10.1021/jacs.8b08053	journal	October 2018
A New Mechanism of Stabilization of Large Decahedral Nanoparticles Casillas, Gilberto; Velázquez-Salazar, J. Jesús; Jose-Yacaman, Miguel The Journal of Physical Chemistry C, Vol. 116, Issue 15 https://doi.org/10.1021/jp3011475	journal	April 2012
One-Pot Synthesis of Monodispersed Silver Nanodecahedra with Optimal SERS Activities Using Seedless Photo-Assisted Citrate Reduction Method Yang, Li-Chen; Lai, Yen-Shang; Tsai, Chin-Ming The Journal of Physical Chemistry C, Vol. 116, Issue 45 https://doi.org/10.1021/jp306308w	journal	November 2012
Photochemical Formation of Silver Nanodecahedra: Structural Selection by the Excitation Wavelength Zheng, Xianliang; Zhao, Xingjia; Guo, Dangwei Langmuir, Vol. 25, Issue 6 https://doi.org/10.1021/la803814j	journal	March 2009
Seedless, Surfactantless Wet Chemical Synthesis of Silver Nanowires Caswell, K. K.; Bender, Christopher M.; Murphy, Catherine J. Nano Letters, Vol. 3, Issue 5 https://doi.org/10.1021/nl0341178	journal	May 2003
Polyol Syntheses of Palladium Decahedra and Icosahedra as Pure Samples by Maneuvering the Reaction Kinetics with Additives Huang, Hongwen; Wang, Yi; Ruditskiy, Aleksey ACS Nano, Vol. 8, Issue 7 https://doi.org/10.1021/nn501919e	journal	June 2014
Synthesis of nanoparticles: sunlight formation of gold nanodecahedra for ultra-sensitive lead-ion detection Chien, Yi-Hsin; Huang, Chih-Chia; Wang, Shu-Wen Green Chemistry, Vol. 13, Issue 5 https://doi.org/10.1039/c0gc00915f	journal	January 2011
Synthesis of well-defined pentagonally prismatic silver nanoparticles: role of bromide in (100) stabilization and facet preservation Kitaev, Vladimir; Subedi, Tomendro Chemical Communications, Vol. 53, Issue 48 https://doi.org/10.1039/c7cc02594g	journal	January 2017
Stretchable/flexible silver nanowire electrodes for energy device applications Jung, Jinwook; Cho, Hyunmin; Yuksel, Recep Nanoscale, Vol. 11, Issue 43 https://doi.org/10.1039/c9nr04193a	journal	January 2019
Gold nanowire growth through stacking fault mechanism by oleylamine-mediated synthesis Moraes, Daniel A.; Souza Junior, João B.; Ferreira, Fabio F. Nanoscale, Vol. 12, Issue 25 https://doi.org/10.1039/d0nr03669b	journal	January 2020
Free-standing, anti-corrosion, super flexible graphene oxide/silver nanowire thin films for ultra-wideband electromagnetic interference shielding Jia, Hui; Yang, Xiao; Kong, Qing-Qiang Journal of Materials Chemistry A, Vol. 9, Issue 2 https://doi.org/10.1039/d0ta09246k	journal	January 2021
The influence of iodide on the solution-phase growth of Cu microplates: a multi-scale theoretical analysis from first principles Kim, Junseok; Fichthorn, Kristen A. Faraday Discussions, Vol. 235 https://doi.org/10.1039/d1fd00091h	journal	January 2022
Growth mechanisms from tetrahedral seeds to multiply twinned Au nanoparticles revealed by atomistic simulations El koraychy, El yakout; Roncaglia, Cesare; Nelli, Diana Nanoscale Horizons, Vol. 7, Issue 8 https://doi.org/10.1039/d1nh00599e	journal	January 2022
A climbing image nudged elastic band method for finding saddle points and minimum energy paths Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904 https://doi.org/10.1063/1.1329672	journal	December 2000
Crossover among structural motifs in transition and noble-metal clusters Baletto, F.; Ferrando, R.; Fortunelli, A. The Journal of Chemical Physics, Vol. 116, Issue 9 https://doi.org/10.1063/1.1448484	journal	March 2002
An energy basin finding algorithm for kinetic Monte Carlo acceleration Puchala, Brian; Falk, Michael L.; Garikipati, Krishna The Journal of Chemical Physics, Vol. 132, Issue 13 https://doi.org/10.1063/1.3369627	journal	April 2010
The energetics and structure of nickel clusters: Size dependence Cleveland, Charles L.; Landman, Uzi The Journal of Chemical Physics, Vol. 94, Issue 11 https://doi.org/10.1063/1.460169	journal	June 1991
Theoretical foundations of dynamical Monte Carlo simulations Fichthorn, Kristen A.; Weinberg, W. H. The Journal of Chemical Physics, Vol. 95, Issue 2 https://doi.org/10.1063/1.461138	journal	July 1991
A local superbasin kinetic Monte Carlo method Fichthorn, Kristen A.; Lin, Yangzheng The Journal of Chemical Physics, Vol. 138, Issue 16 https://doi.org/10.1063/1.4801869	journal	April 2013
Surface structure and energetics of multiply twinned particles Marks, L. D. Philosophical Magazine A, Vol. 49, Issue 1 https://doi.org/10.1080/01418618408233431	journal	July 1984
Self-learning kinetic Monte Carlo simulations of self-diffusion of small Ag islands on the Ag(111) surface Shah, Syed Islamuddin; Nandipati, Giridhar; Karim, Altaf Journal of Physics: Condensed Matter, Vol. 28, Issue 2 https://doi.org/10.1088/0953-8984/28/2/025001	journal	December 2015
An embedded-atom potential for the Cu–Ag system Williams, P. L.; Mishin, Y.; Hamilton, J. C. Modelling and Simulation in Materials Science and Engineering, Vol. 14, Issue 5 https://doi.org/10.1088/0965-0393/14/5/002	journal	May 2006
The smart growth of self-assembled silver nanoloops Ge, Shuaipeng; Cai, Zhixue; Zhang, Huanhuan Nanotechnology, Vol. 32, Issue 46 https://doi.org/10.1088/1361-6528/ac18a3	journal	August 2021
Monte Carlo Algorithms with Absorbing Markov Chains: Fast Local Algorithms for Slow Dynamics Novotny, M. A. Physical Review Letters, Vol. 74, Issue 1 https://doi.org/10.1103/physrevlett.74.1	journal	January 1995
Oriented attachment induces fivefold twins by forming and decomposing high-energy grain boundaries Song, Miao; Zhou, Gang; Lu, Ning Science, Vol. 367, Issue 6473 https://doi.org/10.1126/science.aax6511	journal	November 2019
Ultrathin Gold Nanowires and Nanorods Takahata, Ryo; Tsukuda, Tatsuya Chemistry Letters, Vol. 48, Issue 8 https://doi.org/10.1246/cl.190313	journal	August 2019

Similar Records

Penta-Twinned Copper Nanorods: Facile Synthesis via Seed-Mediated Growth and Their Tunable Plasmonic Properties

Journal Article · Wed Jan 06 19:00:00 EST 2016 · Advanced Functional Materials · OSTI ID:1248811

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

Journal Article · Wed Mar 13 20:00:00 EDT 2019 · ACS Nano · OSTI ID:1594111

Related Subjects

36 MATERIALS SCIENCE
Crystallization
Crystallography
Diffusion rate
Markov processes
Molecular dynamics
Nanocrystals
Nanorods
Nanowires
Surface physics
Transient states

Diffusion growth mechanism of penta-twinned Ag nanocrystals from decahedral seeds

Citation Formats

References (71)

Similar Records

Related Subjects