{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T16:15:29Z","timestamp":1791994529101,"version":"4.4.0"},"reference-count":31,"publisher":"MDPI AG","issue":"4","license":[{"start":{"date-parts":[[2026,2,15]],"date-time":"2026-02-15T00:00:00Z","timestamp":1771113600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Key Project of the Natural Science Program of Xinjiang Uygur Autonomous Region","award":["2023D01D03"],"award-info":[{"award-number":["2023D01D03"]}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"crossref","award":["52073308"],"award-info":[{"award-number":["52073308"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"crossref","award":["12164046"],"award-info":[{"award-number":["12164046"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"crossref","award":["12304097"],"award-info":[{"award-number":["12304097"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]},{"name":"Tianchi Distinguished Professor Research Fund of Xinjiang Uygur Autonomous Region","award":["51052300570"],"award-info":[{"award-number":["51052300570"]}]},{"DOI":"10.13039\/501100004735","name":"Hunan Provincial Natural Science Foundation of China","doi-asserted-by":"crossref","award":["2023JJ40703"],"award-info":[{"award-number":["2023JJ40703"]}],"id":[{"id":"10.13039\/501100004735","id-type":"DOI","asserted-by":"crossref"}]},{"name":"State Key Laboratory of Powder Metallurgy at Central South University"},{"name":"High-Performance Computing Center of Central South University"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Nanomaterials"],"abstract":"<jats:p>Two-dimensional transition metal dichalcogenides (TMDCs) have attracted worldwide attention due to their rich physical and chemical properties. How to regulate their electronic structures to meet different application requirements is a crucial issue. In this work, based on first-principle calculations, we demonstrate that surface fluorination can be a powerful method for tailoring the electronic and magnetic properties of TMDC monolayers. The fluorinated T-MX2F2 (X = S, Se, Te) monolayers cover semiconductors, half-metals, semimetals, and half-semimetals. In particular, monolayer T-CrS2F2 is a half-semimetal, and the spin\u2013orbit coupling effect changes it to a quantum anomalous Hall insulator. Monolayer T-HfS2F2 is a non-magnetic semimetal, and monolayer T-CoS2F2 is a half-metal. These findings not only suggest that fluorination can dramatically alter the electronic properties of two-dimensional TMDCs but also provide a new research platform for developing nanoelectronic devices.<\/jats:p>","DOI":"10.3390\/nano16040256","type":"journal-article","created":{"date-parts":[[2026,2,16]],"date-time":"2026-02-16T11:11:28Z","timestamp":1771240288000},"page":"256","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Electronic and Magnetic Properties of Fluorinated Transition Metal Dichalcogenide 1T-MX2F2 (X = S, Se, Te) Monolayers"],"prefix":"10.3390","volume":"16","author":[{"given":"Lixia","family":"Zheng","sequence":"first","affiliation":[{"name":"School of Materials Science and Engineering, Xinjiang University, Urumqi 830046, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chenzhi","family":"Liu","sequence":"additional","affiliation":[{"name":"Xinjiang Key Laboratory of Solid-State Physics and Devices, School of Physics and Technology, Xinjiang University, Urumqi 830046, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yunfei","family":"Gao","sequence":"additional","affiliation":[{"name":"Xinjiang Key Laboratory of Solid-State Physics and Devices, School of Physics and Technology, Xinjiang University, Urumqi 830046, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3005-0792","authenticated-orcid":false,"given":"Aolin","family":"Li","sequence":"additional","affiliation":[{"name":"School of Materials Science and Engineering, Xinjiang University, Urumqi 830046, China"},{"name":"Xinjiang Key Laboratory of Solid-State Physics and Devices, School of Physics and Technology, Xinjiang University, Urumqi 830046, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haiming","family":"Duan","sequence":"additional","affiliation":[{"name":"Xinjiang Key Laboratory of Solid-State Physics and Devices, School of Physics and Technology, Xinjiang University, Urumqi 830046, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fangping","family":"Ouyang","sequence":"additional","affiliation":[{"name":"Xinjiang Key Laboratory of Solid-State Physics and Devices, School of Physics and Technology, Xinjiang University, Urumqi 830046, China"},{"name":"School of Physics, Institute of Quantum Physics, Central South University, Changsha 410083, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,2,15]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Niu, W.B., Ding, G.L., Jia, Z.Q., Ma, X.Q., Zhao, J.Y., Zhou, K., Han, S.T., Kuo, C.C., and Zhou, Y. (2024). Recent advances in memristors based on two-dimensional ferroelectric materials. Front. Phys., 19.","DOI":"10.1007\/s11467-023-1329-8"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"228501","DOI":"10.7498\/aps.74.20251093","article-title":"Progress in in-sensor computing and applications based on photodetectors of two-dimensional materials","volume":"74","author":"Qi","year":"2025","journal-title":"Acta Phys. Sin."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"212","DOI":"10.1039\/D2CS00218C","article-title":"Interfacial engineering of halide perovskites and two-dimensional materials","volume":"52","author":"Qiu","year":"2023","journal-title":"Chem. Soc. Rev."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"230","DOI":"10.1007\/s40820-023-01211-5","article-title":"p-Type Two-Dimensional Semiconductors: From Materials Preparation to Electronic Applications","volume":"15","author":"Tang","year":"2023","journal-title":"Nano-Micro Lett."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"075911","DOI":"10.1088\/1402-4896\/addc4c","article-title":"Transition metal tin-chalcogenides (TMTC): A new class of 2D covalent metals with high conductivity and stability for advanced applications","volume":"100","author":"Herabad","year":"2025","journal-title":"Phys. Scr."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"10685","DOI":"10.1039\/D5CC00180C","article-title":"2D nanozymes: Bioinspired innovations for healthcare and environmental applications","volume":"61","author":"Borah","year":"2025","journal-title":"Chem. Commun."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"119036","DOI":"10.1016\/j.jece.2025.119036","article-title":"Recent advances in 2D nanomaterial-based peroxidase-mimicking nanocomposites for sensing of water pollutants","volume":"13","author":"Borthakur","year":"2025","journal-title":"J. Environ. Chem. Eng."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"1687","DOI":"10.1515\/nanoph-2024-0569","article-title":"Low-dimensional solid-state single-photon emitters","volume":"14","author":"Chen","year":"2025","journal-title":"Nanophotonics"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1007\/s13538-025-01813-x","article-title":"Two-Dimensional Materials as Antioxidants and Sunscreen Agents in Cosmetics","volume":"55","author":"Pan","year":"2025","journal-title":"Braz. J. Phys."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"118279","DOI":"10.1016\/j.trac.2025.118279","article-title":"Two-dimensional materials in bioelectronics","volume":"189","author":"Rabiee","year":"2025","journal-title":"Trac-Trends Anal. Chem."},{"key":"ref_11","doi-asserted-by":"crossref","unstructured":"Hossen, M.F., Shendokar, S., and Aravamudhan, S. (2024). Defects and Defect Engineering of Two-Dimensional Transition Metal Dichalcogenide (2D TMDC) Materials. Nanomaterials, 14.","DOI":"10.3390\/nano14050410"},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"35","DOI":"10.1038\/s41699-025-00556-2","article-title":"Two-dimensional materials for artificial sensory devices: Advancing neuromorphic sensing technology","volume":"9","author":"Ko","year":"2025","journal-title":"Npj 2d Mater. Appl."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"373002","DOI":"10.1088\/1361-6463\/ad5694","article-title":"Application and prospect of 2D materials in photodetectors","volume":"57","author":"Liu","year":"2024","journal-title":"J. Phys. D-Appl. Phys."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"638","DOI":"10.1038\/s41928-024-01210-3","article-title":"Critical challenges in the development of electronics based on two-dimensional transition metal dichalcogenides","volume":"7","author":"Wang","year":"2024","journal-title":"Nat. Electron."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/j.pnsc.2024.02.014","article-title":"Robust enhancement of valley polarization and quantum yield in composition grading lateral heterostructure of MoS 2-WS 2 monolayer","volume":"34","author":"Kang","year":"2024","journal-title":"Prog. Nat. Sci. -Mater. Int."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1038\/s41586-021-04323-3","article-title":"Vertical MoS2 transistors with sub-1-nm gate lengths","volume":"603","author":"Wu","year":"2022","journal-title":"Nature"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1021\/acsaelm.4c01583","article-title":"Co-TMDC MTJs: A New Frontier in Spintronics","volume":"7","author":"Shukla","year":"2025","journal-title":"Acs Appl. Electron. Mater."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"13087","DOI":"10.1039\/D3CP05298B","article-title":"Enhancement and modulation of valley polarization in Janus CrSSe with internal and external electric fields","volume":"26","author":"Jiao","year":"2024","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"2415717","DOI":"10.1002\/adma.202415717","article-title":"Van Der Waals Hybrid Integration of 2D Semimetals for Broadband Photodetection","volume":"37","author":"Li","year":"2025","journal-title":"Adv. Mater."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"372","DOI":"10.1134\/S0021364024605268","article-title":"Intrinsic Anomalous Hall Effect on the Surface of a Magnetic Semiconductor with the Strong Rashba Effect","volume":"121","author":"Rusinov","year":"2025","journal-title":"Jetp Lett."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"013901","DOI":"10.1063\/5.0271230","article-title":"Fully spin-polarized nodal-chain half-metal in transition metal nitrides","volume":"138","author":"Fan","year":"2025","journal-title":"J. Appl. Phys."},{"key":"ref_22","doi-asserted-by":"crossref","unstructured":"Dong, X., Liu, M., Qiao, D., Li, Z., and Xu, X. (2026). Electric-field-induced topological phase transition in CrS2\/CrSe2 heterostructures. Front. Phys., 21.","DOI":"10.15302\/frontphys.2026.055202"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"2004438","DOI":"10.1002\/advs.202004438","article-title":"Tunable Doping of Rhenium and Vanadium into Transition Metal Dichalcogenides for Two-Dimensional Electronics","volume":"8","author":"Li","year":"2021","journal-title":"Adv. Sci."},{"key":"ref_24","first-page":"508","article-title":"Precise construction of two-dimensional materials and heterostructures","volume":"70","author":"Feng","year":"2025","journal-title":"Chin. Sci. Bull."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"68869","DOI":"10.1021\/acsami.5c16215","article-title":"Engineering Defects, Strain, and Janus Structures in Transition Metal Dichalcogenides for Enhanced Hydrogen Evolution Reaction Electrocatalysis","volume":"17","author":"Zhou","year":"2025","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"7242","DOI":"10.1021\/jp501734s","article-title":"Tuning Electronic and Magnetic Properties of Early Transition-Metal Dichalcogenides via Tensile Strain","volume":"118","author":"Guo","year":"2014","journal-title":"J. Phys. Chem. C"},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"2293","DOI":"10.1021\/acs.jpclett.3c03478","article-title":"Turning Nonmagnetic Two-Dimensional Molybdenum Disulfides into Room-Temperature Ferromagnets by the Synergistic Effect of Lattice Stretching and Charge Injection","volume":"15","author":"Wu","year":"2024","journal-title":"J. Phys. Chem. Lett."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/0927-0256(96)00008-0","article-title":"Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set","volume":"6","author":"Kresse","year":"1996","journal-title":"Comput. Mater. Sci."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"9982","DOI":"10.1063\/1.472933","article-title":"Rationale for mixing exact exchange with density functional approximations","volume":"105","author":"Perdew","year":"1996","journal-title":"J. Chem. Phys."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","article-title":"From ultrasoft pseudopotentials to the projector augmented-wave method","volume":"59","author":"Kresse","year":"1999","journal-title":"Phys. Rev. B"},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","article-title":"Generalized gradient approximation made simple","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."}],"container-title":["Nanomaterials"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2079-4991\/16\/4\/256\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,2,17]],"date-time":"2026-02-17T05:10:54Z","timestamp":1771305054000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2079-4991\/16\/4\/256"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,2,15]]},"references-count":31,"journal-issue":{"issue":"4","published-online":{"date-parts":[[2026,2]]}},"alternative-id":["nano16040256"],"URL":"https:\/\/doi.org\/10.3390\/nano16040256","relation":{},"ISSN":["2079-4991"],"issn-type":[{"value":"2079-4991","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,2,15]]}}}