69 citations · 248 across the 8 of their papers we have counts for
8 papers
Bonding Nature, Structural Optimization, and Energetics studies of SiC Graphitic-Like layer Structures and Single/Double Walled Nanotubes
Ming Yu, C. S. Jayanthi, S. Y. Wu
The structural optimization and energetics studies of SiC graphitic-like structures have been investigated theoretically in the context of formations of stable graphitic-like layer…
Electrostatic deposition of graphene in a gaseous environment: A deterministic route to synthesize rolled graphenes?
Anton Sidorov, David Mudd, Gamini Sumanasekera +3
The synthesis of single-wall carbon nanotubes (SWCNTs) of desired diameters and chiralities is critical to the design of nanoscale electronic devices with desired properties.1-6 Th…
Adsorption of Oxygen Molecules on Individual Carbon Single-walled Nanotubes
A. Tchernatinsky, B. Nagabhirava, S. Desai +4
Our study of the adsorption of oxygen molecules on individual semiconductiong single-walled carbon nanotubes at ambient conditions reveals that the adsorption is physisorption, tha…
Linking Vibrational Dynamics to Local Electronic Structure: Local Analysis of Dynamics of the relaxed Si Cluster
Lei Liu, C. S. Jayanthi, Shi-Yu Wu
A flexible scheme for decomposing the vibrational density of states in terms of pair vibrational density of states is presented. This scheme provides the linkage between the site v…
Dynamics of the 7 x 7 DAS-reconstructed Silicon (111) Surface
Lei Liu, C. S. Jayanthi, Shi-Yu Wu
We studied the dynamics of the reconstructed Si (111) surface using a total-energy-vibrational-spectrum approach based on a non-orthogonal tight-binding Hamiltonian. We first estab…
Structural and Electronic Properties of a Carbon Nanotorus: Effects of Delocalized Vs Localized Deformations
Lei Liu, C. S. Jayanthi, S. Y. Wu
The bending of a carbon nanotube is studied by considering the structural evolution of a carbon nanotorus from elastic deformation to the onset of the kinks and eventually to the c…