Modelling of Molybdenum-Based 2D Materials

The flat, two dimensional materials play important role in the research and industrial applications in the last 15 years. The new materials with flat atomic structures are discovered almost every month. The focus of the paper is on the discrete modeling of the single layer molybdenum disulphide based material (SLMoS2). Two methods, based on the molecular statics and molecular dynamics of estimation of material properties and numerical simulations at the nanolevel are described and discussed.