Hydrogenation and defect formation control the strength and ductility of MoS2 nanosheets: Reactive molecular dynamics simulation
Abstract Two-dimensional (2D) molybdenum disulfide (MoS 2) has attracted significant
attention because of its outstanding properties, suitable for application in several critical
technologies like; solar cells, photocatalysis, lithium-ion batteries, nanoelectronics, and
electrocatalysis. Similar to graphene and other 2D materials, the physical and chemical
properties of MoS 2 can be tuned by the chemical functionalization and defects. In this
investigation, our objective is to explore the mechanical properties of single-layer MoS 2 …
attention because of its outstanding properties, suitable for application in several critical
technologies like; solar cells, photocatalysis, lithium-ion batteries, nanoelectronics, and
electrocatalysis. Similar to graphene and other 2D materials, the physical and chemical
properties of MoS 2 can be tuned by the chemical functionalization and defects. In this
investigation, our objective is to explore the mechanical properties of single-layer MoS 2 …
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