Doping a graphene sheet with boron and nitrogen atoms can significantly alter its electronic properties, as predicted by density functional theory DFT calculations. Graphene, a single layer of carbon atoms arranged in a hexagonal lattice, is a zero-bandgap semiconductor with high electron mobility and remarkable mechanical properties. However, its lack of a bandgap limits its applicability in electronic devices.Doping graphene with boron B and nitrogen N atoms introduces impurities into the lattice, which can lead to the opening of a bandgap and modification of its electronic properties. The effects of doping depend on the concentration and arrangement of the dopant atoms.1. Bandgap opening: When boron and nitrogen atoms are doped in graphene, they substitute carbon atoms in the lattice. Boron has one less electron than carbon, while nitrogen has one more electron. This difference in electron count leads to the formation of localized states near the Fermi level, resulting in the opening of a bandgap. DFT calculations show that the bandgap increases with increasing dopant concentration.2. p-type or n-type doping: Depending on the arrangement of boron and nitrogen atoms, the doped graphene can exhibit either p-type or n-type behavior. When boron atoms are doped in graphene, they act as electron acceptors, leading to p-type hole-dominated behavior. On the other hand, nitrogen doping introduces extra electrons into the system, resulting in n-type electron-dominated behavior.3. Electronic structure modification: Doping with boron and nitrogen atoms can also modify the electronic structure of graphene. For example, the introduction of boron and nitrogen atoms can lead to the formation of localized states and change the density of states near the Fermi level. This can affect the electronic properties such as electron mobility and conductivity.In summary, doping a graphene sheet with boron and nitrogen atoms can significantly alter its electronic properties, including the opening of a bandgap and modification of its electronic structure. These changes can be predicted by density functional theory calculations and can potentially expand the range of applications for graphene in electronic devices.