期刊
NANO LETTERS
卷 13, 期 6, 页码 2615-2622出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl4007479
关键词
Monolayer molybdenum sulfide; point defects; dislocation; grain boundary; edge reconstruction; atomic resolution imaging; first-principles calculations
类别
资金
- National Science Foundation [DMR-0938330]
- Wigner Fellowship through the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory
- U.S. Department of Energy
- Office of Basic Energy Sciences, U.S. U.S. Department of Energy
- Welch Foundation [C-1716]
- NSF [DMR-0928297, CNS-0821727, OCI-0959097, DMR 0845358]
- U.S. Army Research Office MURI Grant [W911NF-11-1-0362]
- U.S. Office of Naval Research MUM Grant [N000014-09-1-1066]
- Nanoelectronics Research Corporation contract [S201006]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0938330] Funding Source: National Science Foundation
- Div Of Civil, Mechanical, & Manufact Inn
- Directorate For Engineering [0928297] Funding Source: National Science Foundation
Monolayer molybdenum disulfide (MoS2) is a two-dimensional direct band gap semiconductor with unique mechanical, electronic, optical, and chemical properties that can be utilized for novel nanoelectronics and optoelectronics devices. The performance of these devices strongly depends on the quality and defect morphology of the MoS2 layers. Here we provide a systematic study of intrinsic structural defects in chemical vapor phase grown monolayer MoS2, including point defects, dislocations, grain boundaries, and edges, via direct atomic resolution imaging, and explore their energy landscape and electronic properties using first-principles calculations. A rich variety of point defects and dislocation cores, distinct from those present in graphene, were observed in MoS2 . We discover that one-dimensional metallic wires can be created via two different types of 60 degrees grain boundaries consisting of distinct 4-fold ring chains. A new type of edge reconstruction, representing a transition state during growth, was also identified, providing insights into the material growth mechanism. The atomic scale study of structural
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