Simulating Synthesis of Metal Nanorods, Nanoplates, and Nanoframes by Self-Assembly of Nanoparticle Building Blocks

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• 作者：Daojian Cheng ; Wenchuan Wang* ; Dapeng Cao* ; Shiping Huang
• 刊名：Journal of Physical Chemistry C
• 出版年：2009
• 出版时间：March 12, 2009
• 年：2009
• 卷：113
• 期：10
• 页码：3986-3997
• 全文大小：1157K
• 年卷期：v.113,no.10(March 12, 2009)
• ISSN：1932-7455

文摘

A general synthesis strategy to prepare metal nanostructures by self-assembly was proposed by molecular dynamics (MD) simulation. In this simulating synthesis strategy, the metal nanostructures were generated by the self-assembly of the amorphous nanoparticles with the attractive forces of the nanoparticle−nanoparticle interactions by the annealing MD method at high temperatures, and finally, the resulting amorphous metal nanostructures were cooled to 10 K, which could resemble the nanoparticle self-assembly in experiment. By using the simulating synthesis, we obtained the full atomistic models of the shape-controlled metal nanostructures, including Au, Ag−Au, and beaded Ag−Cu nanorods, triangular and hexagonal Ag nanoplates, triangular Ag−Au and hexagonal Au, cubic hollow Fe, and Ag−Au nanoframes. It is found that these models are in good agreement with the experimental results. Moreover, we predicted a new metal nanostructure, Au nanoporous framework architecture, which has not been reported in experiment, by self-assembly of the Au nanoparticles. The predicted architecture possesses three-dimensional periodic inner-connecting channels and cavities. It is believed that our simulating synthesis approach will help facilitate the preparation and design of novel metal nanostructures in experiment.