69 citations · 322 across the 18 of their papers we have counts for
18 papers
Tailoring the Energy Gap of Hybrid Hexagonal Boron Nitride Sheets Embedded with Carbon Domains of Different Shapes and Sizes
Cherno B. Kah, M. Yu, Chakram S. Jayanthi
We present in this work the size-dependent and shape-dependent properties of carbon domains in hybrid h-BN/C sheets with the goal of tailoring their energy gaps. We have considered…
Icosahedra boron chain and sheets: new boron allotropic structures
C. B. Kah, M. Yu, P. Tandy +2
The icosahedra boron chain and three icosahedra sheets (with α, δ4, and δ6 symmetries), constructed by the icosahedra B12, have been obtained as new members of boron family using a…
Modeling Compact Boron Clusters with the Next Generation of Environment-Dependent Semi-Empirical Hamiltonian
P. Tandy, Ming Yu, C. Leahy +2
A highly efficient semi-empirical Hamiltonian has been developed and applied to model the compact boron clusters with the intermediate size. The Hamiltonian, in addition to the inc…
Initial stage of growth of single-walled carbon nanotubes : modelling and simulations
I. Chaudhuri, Ming Yu, C. S. Jayanthi +1
Through a careful modeling of interactions, collisions, and the catalytic behavior, one can obtain important information about the initial stage of growth of single-wall carbon nan…
Is There a Stable Bucky-diamond Structure for SiC Clusters?
Ming Yu, C. S. Jayanthi, S. Y. Wu
We have carried out an extensive search for the SiC Bucky-diamond structure to confirm not only that a pair of Si and C atoms can form sp2- as well as sp3-type bonds but also that…
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…