2022
DOI: 10.1002/advs.202200700
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Engineering the Crack Structure and Fracture Behavior in Monolayer MoS2 By Selective Creation of Point Defects

Abstract: Monolayer transition‐metal dichalcogenides, e.g., MoS 2 , typically have high intrinsic strength and Young's modulus, but low fracture toughness. Under high stress, brittle fracture occurs followed by cleavage along a preferential lattice direction, leading to catastrophic failure. Defects have been reported to modulate the fracture behavior, but pertinent atomic mechanism still remains elusive. Here, sulfur (S) and MoS n point defects are selectively created i… Show more

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Cited by 16 publications
(11 citation statements)
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“…[1,2] Moreover, the direct bandgap nature present in monolayer MoS 2 is being exploited in many flexible and optoelectronic applications. [3,4] MoS 2 is known to have intrinsic n-type behavior, and there are previous reports suggesting the origin is sulfur vacancies. [5][6][7][8][9][10] The work function, which by definition is the energy required to free electrons from Fermi level, is an important parameter in deciding the performance of any electronic or optoelectronic device.…”
mentioning
confidence: 99%
“…[1,2] Moreover, the direct bandgap nature present in monolayer MoS 2 is being exploited in many flexible and optoelectronic applications. [3,4] MoS 2 is known to have intrinsic n-type behavior, and there are previous reports suggesting the origin is sulfur vacancies. [5][6][7][8][9][10] The work function, which by definition is the energy required to free electrons from Fermi level, is an important parameter in deciding the performance of any electronic or optoelectronic device.…”
mentioning
confidence: 99%
“…Figure a shows the main scenarios where active oxidation substances are inevitably introduced during the processing and in the servicing of MoS 2 devices, such as O 2 , H 2 O, −OH, etc. in wet transfer, patterned etching, insulating layer deposition, etc. , These active substances, especially O 2 , tend to initiate the evolution of defects. Figure S1a shows the Gibbs free energy (Δ G ) of O 2 initiating S, V S , and V S2 in MoS 2 to produce V S , V S + V S , and V S2 + V S , respectively. The insets show the optimized geometries of O 2 initiating the evolution of different defects and the other two cases are shown in Figure S1b–c.…”
Section: Resultsmentioning
confidence: 99%
“…The formation of V MoxSy and nanopores is the manifestation of the stress release of the structure system. 16,33,34 When approaching the edge zone, in addition to the main vacancies, more and larger nanopores with the reconstructed Mo-Klein edge and 1T′ phase-transition edge can be seen owing to the structural collapse stress during the expansion of the nanopores (Figure 3f #5′). 35 These nanopores have trends of interconnection (Figure S10b #5′).…”
Section: Stem Analysis Of Vacancy Defect Evolution In Mosmentioning
confidence: 99%
“…Consistently, the magnitude of strain we observed perpendicular to the direction of the crack in the MoS 2 layer and the rotation across the entire nanostructure align with previously reported behaviors in MoS 2 monolayers, which have been attributed to the emergence of crack structures due to point defects. [58,59] Furthermore, in the xx direction, distinct regions displaying tensile strain, approximately ε xx ≃ 2% ð Þ , are evident. These strained regions can be predominantly linked to the vicinity of point defects and holes present in the MoS 2 layer, a visualization of which is provided in Figure 4a.…”
Section: Determination Of Strain Field Mapsmentioning
confidence: 99%