First-principle calculations within Eliashberg theory framework have been utilized to investigate theoretically

the effect of hole-doping along with applying strain on superconductivity in a-graphyne and graphene

as a benchmark. We...

In this paper, we investigate the electronic structure of both armchair and zigzag α -graphyne nanor-

ibbons. We use a simple tight binding model to study the variation of the electronic band gap in

α -graphyne nanoribbon. The effects...

In this study, we use the Siesta ab initio code based on Density Functional Theory (DFT) to determine the feasibility of hydrogen storage on the a-graphyne. We examined the effect of hydrogen

adsorption on the structural properties...

An ab-initio study on the spin-polarized transport properties of H-passivated Fe-doped

graphyne nanoribbons is presented. All the calculations were based on density functional

theory (DFT). Doping single magnetic atom on graphyne...

In present paper, the non-equilibrium Green function (NEGF) method along with the density functional

theory (DFT) are used to investigate the effect of width on transport and electronic properties of armchair graphyne-graphyne) nanoribbons...