Theory of Novel Nanostructures: Symmetry and Surface Interactions

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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.***