*********************************
There is now a CONTENT FREEZE for Mercury while we switch to a new platform. It began on Friday, March 10 at 6pm and will end on Wednesday, March 15 at noon. No new content can be created during this time, but all material in the system as of the beginning of the freeze will be migrated to the new platform, including users and groups. Functionally the new site is identical to the old one. webteam@gatech.edu
*********************************
Prof. Zhongfang Chen, University of Puerto Rico
Nanotechnology Innovation via Computations
Computationally-based theoretical modeling and simulations are playing an increasingly important role in the development of modern science and technology developments, especially in the innovations of nanotechnology. In this talk, I will discuss and demonstrate the powerfulness of atomistic simulations as tools of nanotechnology innovation.
(1) To achieve stable spherical clusters: general principles, experimental confirmations and the implications
Highly symmetrical and chemically (quasi)inert clusters have long been sought since they may serve as ideal building blocks for tailored nanomaterials. General principles for designing stable highly symmetrical clusters are proposed. The applicability of these design principles was confirmed by our designed gas phase experiments, and also is illustrated by many literature examples of diverse systems. Following our principles, many more highly stable spherical clusters were designed and synthesized by other groups.
(2) Band structure engineering of carbon and boron nitride nanotubes, and boron nitride nanoribbons
By controlling the chemical modification ratios, it is possible to engineer the electronic structures of one-dimensional (1D) nanostructures, for example, changing metallic carbon tubes to nonmetallic ones, converting the insulating boron nitride nanotubes into p-type semiconductors, even p-type conductors, and realizing the semiconductorâ'half-metalâ'metal transition in boron nitride nanoribbons. The controllability of the electronic and transport properties of these 1D nanomaterials endows them great potential applications in nanoelectronics.
For more information contact Prof. Rig Hernandez (404-894-0594).
