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Y. Mankelevich

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Aug 2026

Reaction mechanisms for thermal and hot N atom interaction with the MoS2 monolayer

The reaction mechanism of the N atom interaction with a single-layer MoS2, two-dimensional transition metal dichalcogenide, is considered in detail. These mechanisms were studied by DFT (density functional theory) modeling using both static and dynamic approaches. The most important processes for pristine and modified...

E. Voronina, Y. Mankelevich, Lev S. Novikov et al. · 0 citations

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