Exploration of Ni-doped BN monolayer as a promising gas sensor for air decomposed species in the high-voltage switchgears

Characteristics and performance of layered two-dimensional materials under doping engineering

“…Based on the first-principles density functional theory, Guo et al, Xia et al and Luo et al, respectively, proposed that Agdoped, Rh-doped, and Ni-doped h-BN can be used as effective detectors for a variety of harmful gases. [237][238][239] TM (Fe and Mn) doping can increase the adsorption energy and charge transfer of the adsorbed systems, except for the adsorption of SO 2 . 240 The electronic structure studies indicate that dopants containing an even number of valence electrons introduce magnetic behavior with spin polarization properties or n-type conductivity with nonmagnetic features.…”