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Tailored surface composition of Au/Pt nanocatalysts synthesized in microemulsions: a simulation study

机译：在微乳液中合成的AU / Pt纳米催化剂的量身定制的表面组成：模拟研究

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Au/Pt nanoparticles show an optimized catalytic activity when compared with Pt nanoparticles because Pt activity is improved by the presence of Au on the surface. It was checked whether a controllable surface composition can be achieved by the simple strategy of varying the Au?:?Pt ratio. We present an in-depth kinetic simulation study on the influence of Au?:?Pt ratio on the formation of Au/Pt nanoparticles synthesized in microemulsions. This study is able to explain the resulting nanoarrangement as a function of kinetic parameters such as Au?:?Pt ratio and intermicellar exchange rate. The role of the micelles as a dosing pump of the Au precursor explains that a higher Au amount results in a Au reduction which takes place over a longer period of time. It implies that Au is deposited until longer stages of the synthesis, so Au is present at the nanoparticle surface. Micelles as reaction media produce a minor impact on Pt due to its slower reduction. These different kinetic behaviours of Au and Pt give rise to a surface composition which can be tailored by tuning the Au?:?Pt ratio. Numerical results on surface composition successfully reproduce experimental data and further support the outcomes of the degree of atomic mixing under different Au?:?Pt ratios.
机译：与Pt纳米颗粒相比，Au / Pt纳米颗粒显示出优化的催化活性，因为Pt活性通过表面上的Au存在改善。检查可控表面组合物是否可以通过改变Au的简单策略来实现：？Pt比率。我们提出了对Au / Pt纳米颗粒在微乳液中合成的Au / Pt纳米颗粒形成的影响的深入动力学模拟研究。该研究能够以动力学参数如Au的函数来解释所得的纳米腺体，例如Au？：Δpt比和局长汇率。胶束作为Au前体的计量泵的作用解释说，较高的Au量导致在较长时间内发生的Au减少。它意味着Au被沉积直到合成的较长阶段，因此Au存在于纳米颗粒表面。胶束作为反应介质由于减少较慢而产生对PT的微小冲击。这些不同的Au和Pt的动力学行为产生了可以通过调谐Au的表面组合物来定制的表面组合物：Δpt比率。表面组成的数值结果成功再现了实验数据，进一步支持不同AU的原子混合程度的结果？：βPT比率。

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