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Nanoscrolls (papyrus-like nanostructures) are very attractive structures for a variety of applications, due to their tunable diameter values and large accessible surface area. They have been successfully synthesized from different materials. In this work we have investigated, through fully atomistic molecular dynamics simulations, the dynamics of scroll formation for a series of graphenelike carbon nitride (CN) twodimensional systems: gCN, triazinebased gC3N4, and heptazinebased gC3N4. Our results show that stable nanoscrolls can be formed for all of these structures. Possible synthetic routes to produce these nanostructures are also addressed.
Carbon nitride-based nanostructures have attracted special attention (from theory and experiments) due to their remarkable electromechanical properties. In this work we have investigated the mechanical properties of some graphene-like carbon nitride
Three new novel phases of carbon nitride (CN) bilayer, which are named as alpha-C$_{2}$N$_{2}$, beta-C$_{2}$N$_{2}$ and gamma-C$_{4}$N$_{4}$, respectively, have been predicted in this paper. All of them are consisted of two CN sheets connected by C-C
At least four two- or quasi-one- dimensional allotropes and a mixture of them were theoretically predicted or experimentally observed for low-dimensional Te, namely the {alpha}, b{eta}, {gamma}, {delta} and chiral-{alpha}+{delta} phases. Among them t
Hexagonal boron nitride (hBN) is a wide bandgap van der Waals material that has recently emerged as promising platform for quantum photonics experiments. In this work we study the formation and localization of narrowband quantum emitters in large fla
In this study we present a theoretical investigation of structural, electronic and mechanical properties of pentagonal monolayers of carbon (p-graphene), boron nitride (p-B$_{2}$N$_{4}$ and p-B$_{4}$N$_{2}$) and silver azide (p-AgN$_{3}$) by performi