25_38i/2013Transition Metal Monolayers: Spontaneous Ripple Formation in MoS2 Monolayers: Electronic Structure and Transport Effects (Adv. Mater. 38/2013)

The spontaneous formation of ripples in molybdenum disulfide (MoS2) monolayers is investigated by Pere Miró and co-workers on page 5473 via density-functional-theory-based tight-binding Born–Oppenheimer molecular dynamics. Monolayers with different lengths show spontaneous rippling during the simulations. The density of states reveals a decrease in the bandgap induced by the stretching of the MoS2 units due to ripple formation. Ripples in the MoS2 monolayers have an effect on the properties of the material and may impact its application in nanoelectronics.

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