First-principles study of the diffusion behavior of gaseous elements (H, N, O) in niobium and their effects on electron transport properties

Key Points

• Diffusion behavior of hydrogen, nitrogen, and oxygen significantly alters electron transport in niobium.
• Key findings show that gaseous elements affect niobium's conductivity and overall electronic properties.
• First-principles study employed computational analysis to explore diffusion and electron transport mechanisms.
• Results suggest enhanced understanding of niobium's behavior with implications for material applications.