  The field of 2D materials has gained a lot of attention for vast range of
applications. Amongst others, the sensing ability towards harmful gases is the
application, which we explored in the present work using quantum-mechanical
simulations for the SnP3 material. Its electronic properties, namely 1 and 2
layers being semiconducting, while multilayers being metallic, offer a
possibility to build a single-material logical junction. In addition, the
harmful gases studied here show physical adsorption with charge transfer from
the substrate to the gas molecules. Calculated recovery times show promise of a
good sensing material. The I-V characteristics calculated for all cases
indicates that SnP3 could be a viable sensing material towards NO gas via
negative differential resistance.
