SERB - Mechanical and Electronic properties of double - and Multi-walled Carbon Nanotubes:Quantum Chemical and Raman Spectroscopic investigation

Prof. Brijesh

(a) Project Objectives and Deliverables: The mechanical and electronic properties of double-walled carbon nanotubes (DWNTs) and multi-walled carbon nanotubes (MWNTs) will be investigated using quantum chemical methods, particularly the density functional theory (DFT) method. Concentric nanotubes of various lengths, diameters and nature (metallic/semiconductor) will be considered.

The following key issues will be addressed:

1. How does the interaction between two coaxial nanotubes vary with the curvature of the tube?
2. What is the friction between the two nanotubes, when one of the tubes is moved (translational/angular movement)?
3. Is it possible to tune the band gap of a DWNT/MWNT by various combinations of metallic/semiconductor concentric nanotubes?
4. What will be the influence of nitrogen/boron doping on the properties of a DWNT? Conceptually, the concentric nanotubes can act as nanomotors, rotational actuators and nanobearings. Their unique band gap property allows to fabricate high performace field-effect transistors. In addition, these DWNTs have potential applications in supercapacitors, mass sensors and solar cells. The results obtained from this project would be of paramount importance for the fast growing research areas of nanomechanics and nanoelectronics.

(b) Milestones and Outcomes accomplished so far: (include publications, patent applications, software, prototypes, events and any other relevant outcome) - Two publications in international peer-reviewed journals.