87 citations · 438 across the 22 of their papers we have counts for
6 papers · 1 filter
Highly tunable charge transport in defective graphene nanoribbons under external local forces and constraints: A hybrid computational study
Mahnoosh Rostami, Isa Ahmadi, Farhad Khoeini
In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external loca…
Heat transfer in strained twin graphene: A non-equilibrium molecular dynamics simulation
Fatemeh Rezaee, Farrokh Yousefi, Farhad Khoeini
In this work, we study the thermal energy transport properties of twin graphene, which has been introduced recently as a new two-dimensional carbon nano structure. The thermal cond…
Thermal conductivity and thermal rectification of nanoporous graphene: A molecular dynamics simulation
Farrokh Yousefi, Farhad Khoeini, Ali Rajabpour
Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an…
Vesicle-like structure of lipid-based nanoparticles as drug delivery system revealed by molecular dynamics simulations
Maryam Khalkhali, Sarah Mohammadinejad, Farhad Khoeini +1
Lipid-based drug delivery systems are considered as promising vehicles for hydrophobic drug compounds. Lipid distribution within the droplet can affect drug loading capacity in the…
Thermal transport across grain boundaries in polycrystalline silicene: a multiscale modeling
Maryam Khalkhali, Ali Rajabpour, Farhad Khoeini
During the fabrication process of large scale silicene through common chemical vapor deposition (CVD) technique, polycrystalline films are quite likely to be produced, and the exis…
Thermal transport in silicene nanotubes: Effects of length, grain boundary and strain
Maryam Khalkhali, Farhad Khoeini, Ali Rajabpour
Thermal transport behavior in silicene nanotubes has become more important due to the application of these promising nanostructures in the engineering of next-generation nanoelectr…