D9.

Project title: Atomistic simulation for assembling functional nanostructured materials

The fabrication of nanometer-sized materials attracts much attention all over the world due to its potential applications in both optoelectronics and nanodevices. For instance, silicon nanowires have been intensively studied and synthesized using different methods in the hope that promising quantum confinement effects as well as useful electrical, optical, mechanical and chemical properties could be obtained. The synthesis for another representative nanostructured material, carbon nanotube, can now reach its theoretical limit, 0.4nm. For nanodevice purpose, one needs to synthesize nanostructured materials with specific geometric and electronic features. Design to assemble the nanostructured materials now becomes an important task .

In this proposed research, atomistic simulations using empirical and first-principle molecular dynamics will be performed in order to reveal how the various nanostructures are assembled. Based on the mechanism of the nanostructure assembling, nanostructures with specific structural features and properties will be designed. Emphasis o f the study will be on the covalently bonded nanomaterials.

Supervisors:
Prof R Q Zhang (aprqz@cityu.edu.hk),
Dr H F Cheung (apcheung@cityu.edu.hk) and
Prof K S Chan (apkschan@cityu.edu.hk)

Suitable for: M.Phil. or Ph.D.