Inter-American Collaboration in Materials Research on the Atomic Resolution Structure Determination of Novel Nanomaterials - CIAM

NSERC CIAM项目将使由加拿大的Stefan Kycia，巴西的Daniela Zanchet和阿根廷的Felix Requejo组成的国际团队能够开发新型纳米粒子并更详细地解决其结构。合成金属和纳米粒子，如Ag，Ni，Pt，Pt/Pd，和更复杂的系统，如TiO 2或ZrO 2覆盖的Au纳米粒子将是这项拟议的合作的目标，并将利用高分辨率透射电子显微镜（HRTEM）的快速反馈，然后是高分辨率，通过扩展X射线吸收精细结构光谱（EXAFS）和高能X射线散射、高分辨率径向分布函数（HR-RDF）测量获得的详细结构测定。有关电子结构的补充信息将通过X射线吸收近边结构光谱（XANES）获得。结构的结果将解释与计算机模拟的帮助。三个PI在纳米颗粒生产和表征的科学和技术方面有着显著的兴趣和专业知识重叠;然而，到目前为止，每个小组都从各自的角度来处理这个科学问题。Zanchet一直致力于从晶体生长的角度和HRTEM纳米粒子，Kycia一直致力于纳米结构的各种X射线衍射方面，在HR-RDF的开发方面进行了开创性的工作，最近在纳米粒子的分子动力学建模方面取得了进展。Requejo一直致力于核/壳纳米粒子的合成及其通过X射线吸收技术（EXAFS和XANES）的表征。目前的建议应作为一个桥梁，建立合作，以开发和表征纳米粒子系统，专门为催化和量子信息应用。

The NSERC CIAM project will enable the international team, consisting of the groups of: Stefan Kycia from Canada, Daniela Zanchet from Brazil, and Felix Requejo from Argentina, to develop novel nanoparticles and solve their structure in greater detail. Synthesis of metallic and bimetallic nanoparticles, such as Ag, Ni, Pt, Pt/Pd, and more complex systems, such as TiO2 or ZrO2 capped Au nanoparticles will be the targets of this proposed collaboration and will take advantage of rapid feedback by high resolution transmission electron microscopy (HRTEM), followed by a high resolution, detailed structure determination obtained by Extended X-Ray Absorption Fine Structure Spectroscopy (EXAFS) and High Energy X-Ray Scattering, High-Resolution Radial Distribution Function (HR-RDF) measurements. Complementary information about electronic structure will be obtained by X-Ray Absorption Near Edge Structure Spectroscopy (XANES). The structure results will be interpreted with the aid of computer simulations. There is significant overlap of interest and expertise on the science and technology aspects of nanoparticles production and characterization by the three PIs; till now, however, each group has approached this scientific problem from its respective point of view. Zanchet has been working on nanoparticles from the crystal growth standpoint and HRTEM, Kycia has worked on a variety of x-ray diffraction aspects of nanostructures, has performed pioneering work on the development of HR-RDF and has been recently making progress with molecular dynamics modeling of nanoparticles. Requejo has been working on core/shell nanoparticle synthesis and their characterization by x-ray absorption techniques (EXAFS and XANES). The present proposal should serve as a bridge to establish a collaboration to develop and characterize nanoparticle systems that are specifically tailored for catalysis and quantum information applications.