Theoretical study of the ϒ2-graphyne p-n junction diode devices

Due to the tunable bandgap of ϒ2-graphyne, there is an expectation that this structure is a favorable candidate for p-n junction diode devices. The characteristic of the pure and hydrogenated ϒ2-graphyne nanoribbon structures is modeled and investigated from the electrostatic point of view. The charge distribution is approximated in one and two dimensions. The space charge region wide, electric field and the potential along with the current density are calculated for different donor and acceptor doping amounts. Our survey includes various simulated hydrogenated and Oxygenated molecular devices with different unit cell numbers, and their density of states, transmission spectrum, and current voltage diagrams were obtained using VNL Quantum wise ATK software. The results indicate the reduction of the depletion region and the creation of new energy levels in the band gap of the system. The interaction and bending effects of these new levels with the intrinsic levels are also observed.