Vibrational and Magnetic States of Point Defects in Bilayer MoSe<sub>2</sub>

Defects in two-dimensional materials profoundly impact the physicochemical properties of the systems, whose characterization is highly desirable at the atomic scale. Here, using spectroscopic imaging scanning tunneling microscopy, we elucidate the vibrational and magnetic states of Mo<sub>Se</sub> antisite and V<sub>Mo</sub> vacancy with different charge states embedded in ultrathin MoSe<sub>2</sub> bilayers supported on graphene substrate. Stringent vibronic states with multimode coupling are resolved on the defects. The spectral intensities are tunable with the electron tunneling rates and well-reproduced by theoretical modeling. Moreover, first-principles calculations suggest that the defects host a local magnetic moment of 2 μ<sub>B</sub> in their neutral state, which is directly confirmed by our spin-flip inelastic electron tunneling spectroscopy. Our study deepens the understanding of defect properties and paves the way of defect-engineering material functionalities and spin-catalytic applications.

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Publication Details

Journal
Journal of the American Chemical Society
Published
2024-11-25
DOI
https://doi.org/10.1021/jacs.4c11075
Citations
3
Primary Topic
2D Materials and Applications
Type
article
Field-Weighted Citation Impact
0.35

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article

Vibrational and Magnetic States of Point Defects in Bilayer MoSe2

Guangjun Tian, Ying‐Shuang Fu, Chaofei Liu, Huimin Wang et al.
3 citations
Journal of the American Chemical Society
2D Materials and Applications
0.35
article

Vibrational and Magnetic States of Point Defects in Bilayer MoSe2

Guangjun Tian, Ying‐Shuang Fu, Chaofei Liu, Huimin Wang, Wenhao Zhang, Sheng Meng, Kai Fan, Ziwei Ma, Wenao Liao
article en
3 citations

Abstract

Defects in two-dimensional materials profoundly impact the physicochemical properties of the systems, whose characterization is highly desirable at the atomic scale. Here, using spectroscopic imaging scanning tunneling microscopy, we elucidate the vibrational and magnetic states of Mo<sub>Se</sub> antisite and V<sub>Mo</sub> vacancy with different charge states embedded in ultrathin MoSe<sub>2</sub> bilayers supported on graphene substrate. Stringent vibronic states with multimode coupling are resolved on the defects. The spectral intensities are tunable with the electron tunneling rates and well-reproduced by theoretical modeling. Moreover, first-principles calculations suggest that the defects host a local magnetic moment of 2 μ<sub>B</sub> in their neutral state, which is directly confirmed by our spin-flip inelastic electron tunneling spectroscopy. Our study deepens the understanding of defect properties and paves the way of defect-engineering material functionalities and spin-catalytic applications.

Journal of the American Chemical SocietyVol. 146(49)
Chinese Academy of Sciences (CN), Yanshan University (CN), Songshan Lake Materials Laboratory (CN), Institute of Physics (CN), University of Chinese Academy of Sciences (CN), State Key Laboratory of Metastable Materials Science and Technology, Huazhong University of Science and Technology (CN), Wuhan Institute of Technology (CN)
National Natural Science Foundation of China, National Key Research and Development Program of China
Openalex Percentile: Top 43%
2D Materials and Applications
0.35
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