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Updated: May 1, 2026
Synthesis and Functionalization of Nitrogen-doped Carbon Nanotube Cups with Gold Nanoparticles as Cork Stoppers
Published on: May 13, 2013
Doping induced structural stability and electronic properties of GaN nanotubes
Anurag Srivastava1, Mohammad Irfan Khan2, Neha Tyagi1
1Advanced Materials Research Group, Computational Nano Science & Technology Lab, ABV-Indian Institute of Information Technology & Management Gwalior (M.P.) 474015, India.
Abstract:
The present paper discusses the effect of manganese doping on the structural stability and electronic band gap of chiral (2, 1), armchair (3, 3), and zigzag ((6, 0) and (10, 0)) single walled GaN nanotube by using density functional theory based Atomistix Toolkit (ATK) Virtual NanoLab (VNL). The structural stability has been analyzed in terms of minimum ground state total energy, binding, and formation energy. As an effect of Mn doping (1-4 atoms), all the GaN nanotubes taken into consideration show semiconducting to metallic transition first and after certain level of Mn doping changes its trend.
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