Theory of Novel Nanostructures: Symmetry and Surface Interactions

该奖项支持旨在了解和推进纳米材料结构和电子性质操纵的理论研究，特别是基于碳、硅和锗的材料，因为这些元素在高对称性的坚固的共价键合封装中具有广泛的可调半导体和金属行为。这项研究旨在促进有关纳米结构的基础知识，并有助于理解在未来设备中使用这些结构所需的知识。这项研究将探索表面能量学在设计半导体纳米线表面掺杂的新形式中的作用，模拟多壁纳米管中平移运动到旋转运动的转换，探索管/石墨相互作用中不寻常的公度效应(这可能允许通过螺旋角分离纳米管)，以及建立碳纳米管弯曲和横向坍塌之间的关系。许多纳米材料的第二个主题是利用高度对称性和相干性来调节电子和机械性能的能力；这里的研究将研究石墨烯锥体中令人着迷的拓扑和电子结构的相互作用，并将基于石墨烯的纳米结构的机械扭曲集中到更低维的位置，电子裂解纳米管和创造倒锥体。这项工作也将立即对社会产生更广泛的影响。之前的NSF资助一直在资助代表不足的学生。首席调查员继续参与外联活动，例如帮助为全国22个科学博物馆设计材料演示展览，在面向五至八年级学生的哈利波特夏季科学夏令营上发表演讲，向来访的高中班级介绍富勒烯和超导等主题。目前奖项中进行的研究将被纳入类似的外联活动。该奖项支持旨在理解和推进纳米材料的结构和电子属性操纵的理论研究，尤其是基于碳、硅和锗的材料，因为这些元素在高对称性的坚固的共价键合封装中具有广泛的可调半导体和金属行为。这项研究的目的是促进纳米结构的基础知识，并为在未来的设备中使用这些结构所需的理解做出贡献。这项工作也将立即对社会产生更广泛的影响。之前的NSF资助一直在资助代表不足的学生。首席调查员继续参与外联活动，例如帮助为全国22个科学博物馆设计材料演示展览，在面向五至八年级学生的哈利波特夏季科学夏令营发表演讲，向来访的高中班级介绍关于富勒烯和超导的主题等。目前奖项中进行的研究将被纳入类似的外联活动。

This award supports theoretical research that seeks to understand and advance the manipulation of the structural and electronic properties of nanoscale materials, particularly those based on carbon, silicon and germanium, since these elements have a wide range of tunable semiconducting and metallic behaviors within robust covalently bonded packages at high symmetry. This research is designed to advance fundamental knowledge on nanostructures and also to contribute towards the body of understanding necessary to use these structures in future devices. The research will explore the role of surface energetics in designing a new forms of surface doping for semiconducting nanowires, modeling the transduction of translational to rotational motion in multiwalled nanotubes, exploring unusual commensuration effects in tube/graphite interactions (which may allow separation of nanotubes by helical angle), and establishing the relation between bending and transverse collapse in carbon nanotubes. A second theme of many nanoscale materials is the ability to exploit high symmetry and phase coherence to tune electronic and mechanical properties; research here will study the fascinating interplay of topology and electronic structure in graphene cones and focus mechanical distortions of graphene-based nanostructures into lower-dimensional loci to electronically cleaved nanotubes and create inverted cones.The work will have a immediate broader impact on society as well. Previous NSF funding has supported underrepresented students. The principal investigator continues to be involved with outreach activities such as helping design a materials demonstration show for twenty-two science museums nationwide, giving presentations at a Harry Potter summer science camp for fifth to eighth graders, presenting topics on fullerenes and superconductivity to visiting high school classes, etc. The research conducted in the current award will be incorporated into similar outreach activities. %%%This award supports theoretical research that seeks to understand and advance the manipulation of the structural and electronic properties of nanoscale materials, particularly those based on carbon, silicon and germanium, since these elements have a wide range of tunable semiconducting and metallic behaviors within robust covalently bonded packages at high symmetry. This research is designed to advance fundamental knowledge on nanostructures and also to contribute towards the body of understanding necessary to use these structures in future devices.The work will have a immediate broader impact on society as well. Previous NSF funding has supported underrepresented students. The principal investigator continues to be involved with outreach activities such as helping design a materials demonstration show for twenty-two science museums nationwide, giving presentations at a Harry Potter summer science camp for fifth to eighth graders, presenting topics on fullerenes and superconductivity to visiting high school classes, etc. The research conducted in the current award will be incorporated into similar outreach activities.***