Chernet AmenteGezahegn Gizachew2025-08-172025-08-172024-08https://etd.aau.edu.et/handle/123456789/6899In this study,we explore the effects of nitrogen doping on hexagonal borophene, a two-dimensional material composed of boron atoms arranged in a hexagonal structure, known for its unique electronic properties. Using density functional theory (DFT), we examine how varying nitrogen concentrations alter and enhance the material’s structural and electronic characteristics. Our findings reveal that nitrogen doping induces significant changes, particularly at a concentration of x=0.38, where the band gap begins to open, transforming h-borophene from a metallic to a semiconducting state. As the concentration increases to x=0.44, the band gap widens, resulting in a direct band gap at the Γ−Λ symmetry point. These insights suggest that nitrogen- doped h-borophene holds great potential for applications in transistors, photodetectors, and other electronic devices.en-USH-Borophene2D MaterialDFTH-BNElectronic StructureThesis