C-doping anisotropy effects on borophene electronic transport

The electronic transport anisotropy for different C-doped borophene polymorphs (β₁₂andχ₃) was investigated theoretically combining density functional theory and non-equilibrium Green's function. The energetic stability analysis reveals that B atoms replaced by C is more energetically favorable forχ₃phase. We also verify a directional character of the electronic band structure on C-doped borophene for both phases. Simulated scanning tunneling microscopy and also total density of charge confirm the directional character of the bonds. The zero bias transmission forβ₁₂phase atE-E_F= 0 shows that C-doping induces a local current confinement along the lines of doped sites. TheI-Vcurves show that C-doping leads to an anisotropy amplification in theβ₁₂than in theχ₃. The possibility of confining the electronic current at an specific region of the C-doped systems, along with the different adsorption features of the doped sites, poses them as promising candidates to highly sensitive and selective gas sensors.