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首页> 外文期刊>Bulletin of the American Physical Society >APS -2017 Annual Meeting of the APS Mid-Atlantic Section- Event - Dynamic Structural Disorder in Supported Metal Nanoparticles: A Blessing or a Curse?
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APS -2017 Annual Meeting of the APS Mid-Atlantic Section- Event - Dynamic Structural Disorder in Supported Metal Nanoparticles: A Blessing or a Curse?

机译:APS -2017年APS大西洋中部分会年会-事件-受支持的金属纳米粒子的动态结构紊乱:是福还是祸?

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摘要

Negative thermal expansion and anomalous bond length disorder are but a few examples of non-bulk behaviors in supported metal nanoparticles. I will illustrate them using a prototypical catalytic system, a platinum particle in equilibrium with oxide support and adsorbate gas, as an example. By combining X-ray absorption and emission spectroscopies with DFT/MD simulations, I will show that many ``anomalies'' have their explanation in the heterogeneous structure, fluctuating over broad time-scale. By tracking the flow of charge to and from the nanoparticle in operando conditions, several competing interactions can be disentangled: metal-support, metal-adsorbate, and support- adsorbate. In the ongoing research at Brookhaven our team is tackling also another type ofheterogeneity, the inter-particle one, by creating a modern toolbox for operando investigations bya combination of spectroscopy and imaging methods. These results are of interest to energysciences: by learning how to sort out and navigate these complex structures and employdynamics to tune up reactivity, one can learn how to rationally design a catalyst with the desiredactivity and selectivity.
机译:负热膨胀和异常的键长异常只是在负载的金属纳米颗粒中非本体行为的几个例子。我将使用原型催化系统(以与氧化物载体和吸附气体平衡的铂颗粒)为例进行说明。通过将X射线吸收和发射光谱学与DFT / MD模拟相结合,我将证明许多``异常''在异质结构中都有其解释,并在很宽的时间范围内波动。通过在操作条件下跟踪进出纳米颗粒的电荷流,可以解开几种竞争性相互作用:金属-载体,金属-吸附物和载体-吸附物。在Brookhaven正在进行的研究中,我们的团队还将光谱和成像方法相结合,通过创建用于操作研究的现代工具箱,来解决另一种异质性,即粒子间的异质性。这些结果是能源科学感兴趣的:通过学习如何整理和导航这些复杂的结构,并利用动力学来调整反应性,人们可以学习如何合理设计具有所需活性和选择性的催化剂。

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