ABSTRACT
Miniaturization is the key factor in atomistic simulation of molecular nanoelectronic devices. Since the evolution of Moore’s law, researchers have been continuously trying to shrink the device length, width, and volume. But they are not at all sacrifice device performance. Instead of sacrificing performance metrics, they are continuously trying to enhance the performance, speed along with lower power dissipation. Nowadays molecular simulation plays an important role to bring out the inherent features of materials. Density functional theory (DFT) and nonequilibrium Green’s function (NEGF)–based first principles formalisms help the researchers to provide a platform where the significant contributions can be achieved during atomistic simulation. Characterization of molecular sensor devices in the field of atomistic simulation is another aspect of the molecular simulation paradigm. Electrical doping provides an implementation of the junctionless nanosensor device designing process, which is another crucial aspect of the nanoscale device designing process. By introducing this electrical doping feature, researchers are able to avoid the problems that are related to the conventional doping process. Atomistic simulation plays an important role in electronic biosensing properties for molecular sensor devices, which makes them attractive for new-generation device designing procedures.
