A study of size-dependent properties of MoS2 monolayer nanoflakes using density-functional theory

Abstract

Novel physical phenomena emerge in ultra-small sized nanomaterials. We study the limiting small-size-dependent properties of MoS2 monolayer rhombic nanoflakes using density-functional theory on structures of size up to Mo35S70 (1.74 nm). We investigate the structural and electronic properties as functions of the lateral size of the nanoflakes, finding… (More)
DOI: 10.1038/s41598-017-09305-y

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