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Density of states calculations also illustrates the rise in the values for the number of states occupied by electrons for pristine Graphene, one to three Manganese atom doped nanosheet, respectively. Transmission spectrum is also varied for pristine Graphene in comparison to one, two and three Manganese atom doped nanosheets. Optical spectrum plots also support the aforementioned characteristics deviation in the pristine Graphene. Total energy calculated for pristine, one, two and three Manganese atom doped Graphenes are as − 4506.6, − 4599.5, − 4691.97 and − 4789.31 eV, respectively.

Chemical potential measurements exhibit a rise in the values for pristine Graphene is − 10.48 to − 9.91 eV for single doped atom to − 9.87 eV for double doped Manganese atom to − 9.57 eV for triple atom doped Manganese. The doping of Manganese atom creates a small band gap and this gap increases with increasing doping concentrations. All the calculations are done using density functional theory. N2 - In this study, electronic properties of Manganese atom doped Graphene are studied using Atomistix Tool Kit-Virtual NanoLab (ATK-VNL), QuantumWise simulation package. T1 - Conductivity modulation of interstitially chemisorbed Manganese atom on Graphene for nanoelectronic application Understanding the effect of Manganese as dopant at different lattice sites of 2D-Graphene helps in designing conductivity tunable Graphene based electro-mechanical devices and sensors for myriad nanoelectronic applications.", The flow of current reduces with increasing number of impure atoms. Understanding the effect of Manganese as dopant at different lattice sites of 2D-Graphene helps in designing conductivity tunable Graphene based electro-mechanical devices and sensors for myriad nanoelectronic applications.Ībstract = "In this study, electronic properties of Manganese atom doped Graphene are studied using Atomistix Tool Kit-Virtual NanoLab (ATK-VNL), QuantumWise simulation package.

In this study, electronic properties of Manganese atom doped Graphene are studied using Atomistix Tool Kit-Virtual NanoLab (ATK-VNL), QuantumWise simulation package.