Modelling of molybdenum-based 2D materials | Zendy

Adam Mrózek | Zendy; Wacław Kuś | Zendy; Tadeusz Burczyński | Zendy

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Modelling of molybdenum-based 2D materials

Author(s) -

Adam Mrózek,

Wacław Kuś,

Tadeusz Burczyński

Publication year - 2018

Publication title -

aip conference proceedings

Language(s) - English

Resource type - Conference proceedings

eISSN - 1551-7616

pISSN - 0094-243X

DOI - 10.1063/1.5019036

Subject(s) - molybdenum , statics , focus (optics) , molecular dynamics , computer science , materials science , nanotechnology , mechanical engineering , metallurgy , chemistry , physics , engineering , computational chemistry , optics , classical mechanics

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.

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