SGER: Nanoparticle and Nanoparticle Self-Assembly on a Stepped Surface

摘要CTS-0429131J. - C. Wang，University of Missouri-Roll这是一项探索性研究，目的是（1）了解表面包覆纳米颗粒和纳米颗粒链阵列在阶梯状固体表面上的行为，（2）研究使用阶梯状表面作为模板诱导纳米颗粒链阵列可控生长的可行性。纳米尺寸的颗粒具有在孤立分子或块状材料中无法找到的非凡特性。为了充分发挥其技术潜力，纳米粒子必须被制造成预先设计的结构或多维有序阵列。 表面活性剂封端的纳米颗粒具有在固体表面自组装成有序结构的能力。然而，目前的表面活性剂封端的纳米颗粒的制造途径仅产生部分令人满意的结果。我们建议，这是可行的，以开发一种改进的纳米纤维途径的基础上使用的纳米颗粒链阵列作为建筑单元。我们将进行分子动力学模拟与纳米晶体，表面活性剂，溶剂和固体surfaces.Intellectual优点的原子尺度模型：现有的证据表明，有关的平衡superlattices和纳米粒子的自组装的信息是编码在系统的分子组成部分。然而，只有非常有限数量的模拟研究集中在表面活性剂封端的纳米粒子。这项探索性的研究进行分子动力学模拟，以提供基本的见解，仍然缺乏，但重要的改进nanofabletics方法的发展。更广泛的影响：更广泛的影响是双重的。在技术上，纳米粒子的行为和纳米粒子自组装的许多方面仍然是未知的。这项研究将通过探讨一些重要的相关性来增进我们的理解。它还将能够帮助开发新的纳米粒子制造途径，用于生产预先设计的纳米粒子结构和满足技术需求的高维超晶格。在教育方面，一名博士生和一名本科生将直接参与这项研究，并在这一新兴领域接受教育。本研究的论文和结果也将纳入PI的课程。因此，拟议的研究将影响这些学生在纳米科学和纳米技术的机会。

AbstractCTS-0429131J.- C. Wang, University of Missouri-RollaThis is an exploratory research with the objectives to (1) understand the behavior of surfactant-capped nanoparticles and nanoparticle chain arrays on a stepped solid surface and (2) study the feasibility of using stepped surfaces as templates to induce controlled growth of nanoparticle chain arrays. Nanometer-sized particles possess extraordinary properties that cannot be found in either isolated molecules or bulk materials. To fully realize their technological potential, nanoparticles must be fabricated into predesigned structures or multidimensional ordered arrays. Surfactant-capped nanoparticles have the capability of self-assembling into ordered structures on solid surfaces. However, current fabrication avenues of surfactant-capped nanoparticles have only produced partially satisfactory results. We propose that it is feasible to develop an improved nanofabrication avenue based on the use of nanoparticle chain arrays as building units. We will perform molecular dynamics simulations with atomic-scale models for nanocrystals, surfactants, solvent, and solid surfaces to assess the feasibility.Intellectual merit: Existing evidences suggest that the information about the equilibriumsuperlattices and self-assembling of nanoparticles is encoded in the molecular components of the system. However, only a very limited number of simulation studies have focused on surfactant-capped nanoparticles. This exploratory research performs molecular dynamics simulations to provide fundamental insights that are still lacking but important to the development of improved nanofabrication methods.Broader impacts: The broader impacts are two-fold. Technologically, many aspects of the behavior of nanoparticles and nanoparticle self-assembly are still unknown. This research will enhance our understanding by exploring some aspects of important relevance. It will also be able to assist the development of new nanoparticle fabrication avenues for producing predesigned nanoparticle structures and higher-dimensional superlattices that meet technological needs. Educationally, one PhD student and one undergraduate student will be directly involved in this research and get an education in this emerging field. The thesis and results of this research will also be incorporated in the PI's courses. The proposed research will thus impact these students on their opportunities in nanoscience and nanotechnology.