Year: 2026
Type: article
Abstract: In two-dimensional transition metal dichalcogenides such as tungsten diselenide (WSe 2 ), single photon emission has been broadly attributed to exciton localization from atomic point defects, yet the precise microscopic origins are unclear. This work introduces an empirically grounded computational framework that explains the origins of facile single photon emission in WSe 2 . High-resolution microscopy identifies native defect geometries in monolayer WSe 2 lattices from which the model is built. The qualitative effects of chalcogen type, defect geometry, and mechanical strain on the electronic structure are individually assessed using density functional theory, and a specific divacancy configuration emerges as the candidate for localized single-electron transitions that match observed spectral energies. Spectroscopy and photon correlation measurements further validate this model, establishing a self-consistent link between defect geometry, electronic structure, and quantum emission.
Source: ACS Nano
Authors: S. Carin Gavin, Moumita Kar, Jianguo Wen, Anushka Dasgupta, Jinxuan Pei, Yiying Liu, Boyu Zhang, Charles J. Zeman, F. Joseph Heremans, Tobin J. Marks, Mark C. Hersam, George C. Schatz, Nathaniel P. Stern
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
Funders: National Science Foundation, U.S. Department of Energy, Northwestern University, University of Chicago, Office of Science, Division of Materials Research, Division of Electrical, Communications and Cyber Systems, Basic Energy Sciences, Air Force Office of Scientific Research, Argonne National Laboratory
Awards: G1465269720, G1523888516, CENTER FOR MOLECULAR QUANTUM TRANSDUCTION (CMQT), G2343375527, G2714387552, G30218185, G3203750490, CENTER FOR MOLECULAR QUANTUM TRANSDUCTION (CMQT), G426311843, Northwestern University Materials Research Science and Engineering Center, G4297276733, CAREER: Multiplexed and Selective Molecular Sensing Based on Raman Enhancement Through 2D Materials, G7065808763, CAREER: Multiplexed and Selective Molecular Sensing Based on Raman Enhancement Through 2D Materials, G7677360645
OpenAlex ID: W4405096599