{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,17]],"date-time":"2026-09-17T08:42:03Z","timestamp":1789634523921,"version":"build-2803163510"},"reference-count":28,"publisher":"MDPI AG","issue":"21","license":[{"start":{"date-parts":[[2022,11,5]],"date-time":"2022-11-05T00:00:00Z","timestamp":1667606400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100012190","name":"Ministry of Science and Higher Education of the Russian Federation","doi-asserted-by":"publisher","award":["075-15-2021-581"],"award-info":[{"award-number":["075-15-2021-581"]}],"id":[{"id":"10.13039\/501100012190","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Nanomaterials"],"abstract":"<jats:p>Novel representative 2D materials of the Janus type family X-M-ZN2 are studied. These materials are hybrids of a transition metal dichalcogenide and a material from the MoSi2N4 family, and they were constructed and optimized from the MoSi2N4 monolayer by the substitution of SiN2 group on one side by chalcogen atoms (sulfur, selenium, or tellurium), and possibly replacing molybdenum (Mo) to tungsten (W) and\/or silicon (Si) to germanium (Ge). The stability of novel materials is evaluated by calculating phonon spectra and binding energies. Mechanical, electronic, and optical characteristics are calculated by methods based on the density functional theory. All considered 2D materials are semiconductors with a substantial bandgap (&gt;1 eV). The mirror symmetry breaking is the cause of a significant built-in electric field and intrinsic dipole moment. The spin\u2013orbit coupling (SOC) is estimated by calculations of SOC polarized bandstructures for four most stable X-M-ZN2 structures. The possible van der Waals heterostructures of considered Janus type monolayers with graphene are constructed and optimized. It is demonstrated that monolayers can serve as outer plates in conducting layers (with graphene) for shielding a constant external electric field.<\/jats:p>","DOI":"10.3390\/nano12213904","type":"journal-article","created":{"date-parts":[[2022,11,7]],"date-time":"2022-11-07T03:02:22Z","timestamp":1667790142000},"page":"3904","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":13,"title":["Janus Type Monolayers of S-MoSiN2 Family and Van Der Waals Heterostructures with Graphene: DFT-Based Study"],"prefix":"10.3390","volume":"12","author":[{"given":"Ruslan M.","family":"Meftakhutdinov","sequence":"first","affiliation":[{"name":"Laboratory of Diffusion Processes, Ulyanovsk State University, 432017 Ulyanovsk, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7382-7082","authenticated-orcid":false,"given":"Renat T.","family":"Sibatov","sequence":"additional","affiliation":[{"name":"Laboratory of Diffusion Processes, Ulyanovsk State University, 432017 Ulyanovsk, Russia"},{"name":"Scientific-Manufacturing Complex \u201cTechnological Centre\u201d, 124498 Moscow, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2022,11,5]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"670","DOI":"10.1126\/science.abb7023","article-title":"Chemical vapor deposition of layered two-dimensional MoSi2N4 materials","volume":"369","author":"Hong","year":"2020","journal-title":"Science"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"1842","DOI":"10.1093\/nsr\/nwaa190","article-title":"Discovery of 2d van der Waals layered MoSi2N4 family","volume":"7","author":"Novoselov","year":"2020","journal-title":"Natl. 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