二氧化硅表面负载的银铂纳米颗粒与纳米液滴：结构与化学有序性
Silver-Platinum nanoparticles and nanodroplets supported on silica surfaces: structure and chemical ordering
AI总结：
本文通过蒙特卡罗模拟研究二氧化硅支撑体的无序与粗糙度对AgPt纳米颗粒结构和化学有序性的影响，揭示弱相互作用基底界面处原子排列的变化规律。
摘要：
与块体材料相比，稳定和亚稳态的金属纳米颗粒表现出独特的性质，在催化方面具有潜在的重要应用。AgPt合金尤其如此，它可以在纳米尺寸颗粒中呈现有序的L1$_1$结构（纯Ag和Pt（111）原子平面的交替排列）。然而，对于如此小的体系，界面起着重要作用。因此，在超高真空实验中用于制备纳米颗粒的支撑体可能会影响其性质，即使在非晶碳或二氧化硅等弱相互作用基底的情况下也是如此。本工作聚焦于沉积在二氧化硅上的AgPt纳米颗粒，通过采用半经验势的蒙特卡罗计算原子密度分布，研究了支撑体的无序性和粗糙度对结构和化学有序性的影响，特别是在与基底接触的界面处。
英文摘要：
Stable and metastable metallic nanoparticles exhibit unique properties compared to the bulk, with potentially important applications for catalysis. This is in particular the case for the AgPt alloy that can exhibit the ordered L1$_1$ structure (alternation of pure Ag and Pt (111) planes) in nanometer size particles. However, for such small systems, the interfaces play an important role. Therefore, the support used to elaborate the nanoparticles in ultrahigh vacuum experiments may influence their properties, even in the case of weakly interacting substrates like amorphous carbon or silica. This work focuses on the AgPt nanoparticles deposited on silica, and investigates the effect of the support disorder and roughness on the structure and chemical ordering, in particular at the interface with the substrate, by Monte Carlo calculations of the atomic density profiles with semi-empiric potentials.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
