Influence of Rhenium Concentration on Charge Doping and Defect Formation in MoS2

Abstract Substitutionally doped transition metal dichalcogenides (TMDs) are essential for advancing TMD‐based field effect transistors, sensors, and quantum photonic devices. However, the impact of local dopant concentrations and dopant–dopant interactions on charge doping and defect formation withi...

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Main Authors: Kyle T. Munson, Riccardo Torsi, Fatimah Habis, Lysander Huberich, Yu‐Chuan Lin, Yue Yuan, Ke Wang, Bruno Schuler, Yuanxi Wang, John B. Asbury, Joshua A. Robinson
Format: Article
Language:English
Published: Wiley-VCH 2025-03-01
Series:Advanced Electronic Materials
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Online Access:https://doi.org/10.1002/aelm.202400403
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author Kyle T. Munson
Riccardo Torsi
Fatimah Habis
Lysander Huberich
Yu‐Chuan Lin
Yue Yuan
Ke Wang
Bruno Schuler
Yuanxi Wang
John B. Asbury
Joshua A. Robinson
author_facet Kyle T. Munson
Riccardo Torsi
Fatimah Habis
Lysander Huberich
Yu‐Chuan Lin
Yue Yuan
Ke Wang
Bruno Schuler
Yuanxi Wang
John B. Asbury
Joshua A. Robinson
author_sort Kyle T. Munson
collection DOAJ
description Abstract Substitutionally doped transition metal dichalcogenides (TMDs) are essential for advancing TMD‐based field effect transistors, sensors, and quantum photonic devices. However, the impact of local dopant concentrations and dopant–dopant interactions on charge doping and defect formation within TMDs remains underexplored. Here, a breakthrough understanding of the influence of rhenium (Re) concentration is presented on charge doping and defect formation in MoS2 monolayers grown by metal–organic chemical vapor deposition (MOCVD). It is shown that Re‐MoS2 films exhibit reduced sulfur‐site defects, consistent with prior reports. However, as the Re concentration approaches ⪆2 atom%, significant clustering of Re in the MoS2 is observed. Ab Initio calculations indicate that the transition from isolated Re atoms to Re clusters increases the ionization energy of Re dopants, thereby reducing Re‐doping efficacy. Using photoluminescence (PL) spectroscopy, it is shown that Re dopant clustering creates defect states that trap photogenerated excitons within the MoS2 lattice, resulting in broad sub‐gap emission. These results provide critical insights into how the local concentration of metal dopants influences carrier density, defect formation, and exciton recombination in TMDs, offering a novel framework for designing future TMD‐based devices with improved electronic and photonic properties.
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spelling doaj-art-3dbcd1c77f2c47bd8ae980201ce27bb72025-08-20T02:58:37ZengWiley-VCHAdvanced Electronic Materials2199-160X2025-03-01113n/an/a10.1002/aelm.202400403Influence of Rhenium Concentration on Charge Doping and Defect Formation in MoS2Kyle T. Munson0Riccardo Torsi1Fatimah Habis2Lysander Huberich3Yu‐Chuan Lin4Yue Yuan5Ke Wang6Bruno Schuler7Yuanxi Wang8John B. Asbury9Joshua A. Robinson10Department of Materials Science and Engineering The Pennsylvania State University University Park PA 16802 USADepartment of Materials Science and Engineering The Pennsylvania State University University Park PA 16802 USADepartment of Physics University of North Texas Denton TX 76203 USAnanotech@surfaces Laboratory Empa‐Swiss Federal Laboratories for Materials Science and Technology Dübendorf 8600 SwitzerlandDepartment of Materials Science and Engineering National Yang Ming Chiao Tung University Hsinchu City 300 TaiwanDepartment of Chemistry The Pennsylvania State University University Park PA 16802 USAMaterials Research Institute The Pennsylvania State University University Park PA 16802 USAnanotech@surfaces Laboratory Empa‐Swiss Federal Laboratories for Materials Science and Technology Dübendorf 8600 SwitzerlandDepartment of Physics University of North Texas Denton TX 76203 USADepartment of Materials Science and Engineering The Pennsylvania State University University Park PA 16802 USADepartment of Materials Science and Engineering The Pennsylvania State University University Park PA 16802 USAAbstract Substitutionally doped transition metal dichalcogenides (TMDs) are essential for advancing TMD‐based field effect transistors, sensors, and quantum photonic devices. However, the impact of local dopant concentrations and dopant–dopant interactions on charge doping and defect formation within TMDs remains underexplored. Here, a breakthrough understanding of the influence of rhenium (Re) concentration is presented on charge doping and defect formation in MoS2 monolayers grown by metal–organic chemical vapor deposition (MOCVD). It is shown that Re‐MoS2 films exhibit reduced sulfur‐site defects, consistent with prior reports. However, as the Re concentration approaches ⪆2 atom%, significant clustering of Re in the MoS2 is observed. Ab Initio calculations indicate that the transition from isolated Re atoms to Re clusters increases the ionization energy of Re dopants, thereby reducing Re‐doping efficacy. Using photoluminescence (PL) spectroscopy, it is shown that Re dopant clustering creates defect states that trap photogenerated excitons within the MoS2 lattice, resulting in broad sub‐gap emission. These results provide critical insights into how the local concentration of metal dopants influences carrier density, defect formation, and exciton recombination in TMDs, offering a novel framework for designing future TMD‐based devices with improved electronic and photonic properties.https://doi.org/10.1002/aelm.2024004032D materialsdefectsdopingTMDs
spellingShingle Kyle T. Munson
Riccardo Torsi
Fatimah Habis
Lysander Huberich
Yu‐Chuan Lin
Yue Yuan
Ke Wang
Bruno Schuler
Yuanxi Wang
John B. Asbury
Joshua A. Robinson
Influence of Rhenium Concentration on Charge Doping and Defect Formation in MoS2
Advanced Electronic Materials
2D materials
defects
doping
TMDs
title Influence of Rhenium Concentration on Charge Doping and Defect Formation in MoS2
title_full Influence of Rhenium Concentration on Charge Doping and Defect Formation in MoS2
title_fullStr Influence of Rhenium Concentration on Charge Doping and Defect Formation in MoS2
title_full_unstemmed Influence of Rhenium Concentration on Charge Doping and Defect Formation in MoS2
title_short Influence of Rhenium Concentration on Charge Doping and Defect Formation in MoS2
title_sort influence of rhenium concentration on charge doping and defect formation in mos2
topic 2D materials
defects
doping
TMDs
url https://doi.org/10.1002/aelm.202400403
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