Calcul ab initio des propriétés physiquo-chimique du Janus monolayer comme capteur pour gaz polluant.

Abstract

Hydrogen sulfide (H2S), ammonia (NH3), carbon monoxide (CO) and carbon dioxide (CO2) are the most common pollutants in the atmosphere. The emissions of those gas gases have continued to increase in recent years worldwide. The main sources of these gases are agriculture, fossil fuels, the automotive industry, oxidation of atmospheric nitrogen, etc. These toxic substances (H2S, NH3, CO and CO2) affect human health and create environmental problems such as acid rain and the greenhouse effect. In order to remedy the propagation of these harmful molecules, we propose in this master to study the possibility of using the Janus MoSSe type mono layer as a sensor of these gases.