Unveiling sulfur vacancy pairs as bright and stable color centers in monolayer WS2

Huacong Sun, Qing Yang, Jianlin Wang, Mingchao Ding, Mouyang Cheng, Lei Liao, Chen Cai, Zitao Chen, Xudan Huang, Zibing Wang, Zhi Xu, Wenlong Wang, Kaihui Liu, Lei Liu, Xuedong Bai (), Ji Chen (), Sheng Meng () and Lifen Wang ()
Additional contact information
Huacong Sun: Chinese Academy of Sciences
Qing Yang: Chinese Academy of Sciences
Jianlin Wang: Chinese Academy of Sciences
Mingchao Ding: Chinese Academy of Sciences
Mouyang Cheng: Peking University
Lei Liao: Chinese Academy of Sciences
Chen Cai: Chinese Academy of Sciences
Zitao Chen: Chinese Academy of Sciences
Xudan Huang: Chinese Academy of Sciences
Zibing Wang: Chinese Academy of Sciences
Zhi Xu: Songshan Lake Materials Laboratory
Wenlong Wang: Chinese Academy of Sciences
Kaihui Liu: Peking University
Lei Liu: Peking University
Xuedong Bai: Chinese Academy of Sciences
Ji Chen: Peking University
Sheng Meng: Chinese Academy of Sciences
Lifen Wang: Chinese Academy of Sciences

Nature Communications, 2024, vol. 15, issue 1, 1-11

Abstract: Abstract Color centers, arising from zero-dimensional defects, exploit quantum confinement to access internal electron quantum degrees of freedom, holding potential for quantum technologies. Despite intensive research, the structural origin of many color centers remains elusive. In this study, we employ in-situ cathodoluminescence scanning transmission electron microscopy combined with integrated differential phase contrast imaging to examine how defect configuration in tungsten sulfide determines color-center emission. Using an 80-kV accelerated electron beam, defects were deliberately produced, visualized, excited in situ and characterized in real time in monolayer WS2 within hBN|WS2 | hBN heterostructures at 100 K. These color centers were simultaneously measured by cathodoluminescence microscopy and differentiated by machine learning. Supported by DFT calculations, our results identified a crucial sulfur vacancy configuration organized into featured vacancy pairs, generating stable and bright luminescence at 660 nm. These findings elucidate the atomic-level structure-exciton relationship of color centers, advancing our understanding and quantum applications of defects in 2D materials.

Date: 2024
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DOI: 10.1038/s41467-024-53880-4

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