Computational study plays an important role to discover the potential of the bio-inspired nano scale molecular devices. Density Functional Theory (DFT) is one of the popular methods to calculate the properties of the molecules which can not be possible with ab initio process, preferably for transition metals. This method is important for electronic structure calculation […]
The investigation of the thermoelectric characterization of magnetic material doped Silicon Carbide (SiC) nanotube (NT) is a challenging aspect for the researchers. Thanks to the Density Functional Theory (DFT) based formalisms help to provide accurate electronic characterization for the nanoscale 2-D models. The investigation of the Device Density of States (DDOS) of the magnetically doped […]
