journal article·2017-09-06

Chemical Selectivity at Grain Boundary Dislocations in Monolayer Mo1–xWxS2 Transition Metal Dichalcogenides

Ziqian Wang, Yuhao Shen, Shoucong Ning, Yoshikazu Ito, Pan Liu, Zheng Tang, Takeshi Fujita, Akihiko Hirata, Mingwei Chen

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Abstract

Grain boundaries (GBs) are unavoidable crystal defects in polycrystalline materials and significantly influence their properties. However, the structure and chemistry of GBs in 2D transition metal dichalcogenide alloys have not been well established. Here we report significant chemical selectivity of transition metal atoms at GB dislocation cores in Mo 1– x W x S 2 monolayers. Different from classical elastic field-driven dislocation segregation in bulk crystals, the chemical selectivity in the 2D crystals originates prominently from variation of atomic coordination numbers at dislocation cores. This observation provides atomic insights into the topological effect on the chemistry of crystal defects in 2D materials.
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Research context

OpenAlex topics: 2D Materials and Applications · MXene and MAX Phase Materials · Graphene research and applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218, United States

Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan

Key Laboratory of Polar Materials and Devices, East China Normal University, Shanghai 200062, P. R. China

Department of Mechanical and Aerospace Engineering, School of Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong SAR

Institute of Applied Physics, Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8573, Japan

State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200030, P.R. China

CREST, Japan Science and Technology Agency, 4-1-8 Honcho Kawaguchi, Saitama 332-0012, Japan

Funding

Research Grants Council, University Grants Committee · Ministry of Education, Culture, Sports, Science and Technology · Core Research for Evolutional Science and Technology · Tohoku University · Japan Society for the Promotion of Science

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