微乳液中双金属纳米粒子合成过程中成核与化学还原速率之间的相互作用:计算机研究

IF 2.6 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Metals Pub Date : 2024-08-29 DOI:10.3390/met14090987
Concha Tojo
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引用次数: 0

摘要

蒙特卡洛模拟研究了采用一锅法在微乳液中制备金/银、金/铂和金/钯纳米粒子时,成核与化学还原率之间的相互作用。成核对最终纳米结构的影响取决于临界晶核尺寸值:在临界晶核尺寸较高时,成核成为决定最终纳米结构的主要因素,即使还原率相差很大,如金/钯对。然而,当临界核尺寸较小时,两种金属的还原率差异就成为决定最终纳米结构的关键参数。此外,异原子成核与纳米粒子形成机制的相关性取决于两种金属还原速率的差异。差异越小,如金/银或金/铂对,异原子成核对最终纳米结构的影响越大。相比之下,在金/钯对中,由于直到合成后期钯的供应量较低,异原子成核变得不那么重要。这项研究让我们更深入地了解了微乳液中反应的复杂机理。
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The Interplay between Nucleation and the Rates of Chemical Reduction in the Synthesis of Bimetallic Nanoparticles in Microemulsions: A Computer Study
Monte Carlo simulations were conducted to investigate the interaction between nucleation and the rates of chemical reduction in Au/Ag, Au/Pt and Au/Pd nanoparticles prepared in microemulsions using a one-pot method. The impact of nucleation on final nanostructure depends on the critical nucleus size value: at a high critical nucleus size, nucleation becomes the main factor in determining the final nanostructure, even with a very large difference in reduction rates, as seen in the Au/Pd pair. However, when the critical nucleus size is small, the difference in reduction rates of the two metals becomes the key parameter determining the final nanostructure. Furthermore, the relevance of heteroatomic nucleation on the mechanism of nanoparticle formation depends on the difference between the reduction rates of the two metals. Smaller differences, such as in the Au/Ag or Au/Pt pairs, result in a greater impact of heteroatomic nucleation on the final nanostructure. In contrast, in the Au/Pd pair, heteroatomic nucleation becomes less important due to the low availability of Pd until late stages of synthesis. This study provides deeper insight into the complex mechanisms that govern reactions in microemulsions.
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来源期刊
Metals
Metals MATERIALS SCIENCE, MULTIDISCIPLINARY-METALLURGY & METALLURGICAL ENGINEERING
CiteScore
4.90
自引率
13.80%
发文量
1832
审稿时长
1.5 months
期刊介绍: Metals (ISSN 2075-4701) is an open access journal of related scientific research and technology development. It publishes reviews, regular research papers (articles) and short communications. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced. Metals provides a forum for publishing papers which advance the in-depth understanding of the relationship between the structure, the properties or the functions of all kinds of metals.
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