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

abstractcts - 0429131 j。这是一项探索性研究，其目标是：(1)了解表面活性剂覆盖的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受控生长的可行性。纳米大小的粒子具有在孤立分子或块状材料中都无法找到的非凡特性。为了充分发挥纳米颗粒的技术潜力，必须将其制造成预先设计的结构或多维有序阵列。表面活性剂覆盖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，目前表面活性剂覆盖纳米颗粒的制造途径只产生了部分令人满意的结果。我们提出以纳米颗粒链阵列为构建单元，开发一种改进的纳米制造途径是可行的。我们将使用纳米晶体、表面活性剂、溶剂和固体表面的原子尺度模型进行分子动力学模拟，以评估可行性。知识价值：现有证据表明，有关纳米粒子的平衡、超晶格和自组装的信息被编码在系统的分子组分中。然而，只有非常有限的模拟研究集中在表面活性剂覆盖的纳米颗粒上。这项探索性研究进行分子动力学模拟，以提供仍然缺乏的基本见解，但对改进纳米制造方法的发展很重要。更广泛的影响：更广泛的影响是双重的。从技术上讲，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。本研究将通过探讨一些重要的相关方面来增进我们的理解。它还将有助于开发新的纳米颗粒制造途径，以生产满足技术需求的预先设计的纳米颗粒结构和高维超晶格。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被纳入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方面的机会。

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.