Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

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 with strongly reduced Schottky barrier. In addition, the harmful gases studied here all 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 indicate that SnP3 could be a viable sensing material towards NO gas via negative differential resistance.