[HTML][HTML] Effects of nitrogen-doping configurations with vacancies on conductivity in graphene
We investigate electronic transport in the nitrogen-doped graphene containing different
configurations of point defects: singly or doubly substituting N atoms and nitrogen–vacancy
complexes. The results are numerically obtained using the quantum-mechanical Kubo–
Greenwood formalism. Nitrogen substitutions in graphene lattice are modelled by the
scattering potential adopted from the independent self-consistent ab initio calculations.
Variety of quantitative and qualitative changes in the conductivity behaviour are revealed for …
configurations of point defects: singly or doubly substituting N atoms and nitrogen–vacancy
complexes. The results are numerically obtained using the quantum-mechanical Kubo–
Greenwood formalism. Nitrogen substitutions in graphene lattice are modelled by the
scattering potential adopted from the independent self-consistent ab initio calculations.
Variety of quantitative and qualitative changes in the conductivity behaviour are revealed for …
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