Dresden 2020 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 102: Nanostructured Surfaces and Thin Films II: 1D and 2D Networks (joint session O/CPP)

CPP 102.2: Talk

Thursday, March 19, 2020, 15:15–15:30, WIL B321

MoS2 monolayers under cluster ion irradiation: a molecular dynamics study — •Sadegh Ghaderzadeh, Vladimir Ladygin, Mahdi Ghorbani-Asl, and Arkady V. Krasheninnikov — Institue of Ion beam Physics and Materials Research Helmholtz-Zentrum Dresden-Rossendorf, 01314 Dresden, Germany

Ion irradiation is a powerful method to tailor the properties of low-dimensional materials, and is thought to be particularly promissing for patterning two-dimensional (2D) materials through tuning the energy, type, charge state of the incident particles and the supporting substrate. This tool is recently employed to tackle the important issue of controlled pore creation in 2D materials to be performed as filters for water desalination, gas sensing, etc. This aim requires a clear insight into the microscopic process which is yet to be fully understood. In this work, we use classical Molecular Dynamics (MD) simulations to shed light on the behavior of 2D materials under cluster ion irradiation, and specifically focous on the production and characterization of defects. To a great extent, the properties of the induced defects depend on the size and energy of the clusters, which has not been studied beyond graphene so far. In particular, we are focused on the response of MoS2 monolayers, which have shown various exciting properties complementary to graphene, under cluster irradiation. Furthermore, we show that depending on the incident angle and energy of the clusters, sulfur atoms can be sputtered mainly from the top layer, creating unique opportunities for patterning MoS2 monolayers.