{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,5]],"date-time":"2026-05-05T03:06:22Z","timestamp":1777950382731,"version":"3.51.4"},"reference-count":24,"publisher":"IOP Publishing","issue":"18","license":[{"start":{"date-parts":[[2026,5,4]],"date-time":"2026-05-04T00:00:00Z","timestamp":1777852800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/publishingsupport.iopscience.iop.org\/iop-standard\/v1"},{"start":{"date-parts":[[2026,5,4]],"date-time":"2026-05-04T00:00:00Z","timestamp":1777852800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"funder":[{"name":"the \"Blue Fire Plan\u2019' (Dezhou) of Cooperative Industry-University Innovation of Education Ministry of China","award":["No. 2021DZ006"],"award-info":[{"award-number":["No. 2021DZ006"]}]},{"DOI":"10.13039\/501100001809","name":"the National Natural Science Foundation of China","doi-asserted-by":"crossref","award":["No.12474038"],"award-info":[{"award-number":["No.12474038"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]},{"name":"the Innovation Project of Shandong Province","award":["No. 2022TSGC1353"],"award-info":[{"award-number":["No. 2022TSGC1353"]}]}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["Nanotechnology"],"published-print":{"date-parts":[[2026,5,8]]},"abstract":"Abstract<\/jats:title>\n \n Aiming at improving the thermoelectric (TE) performance of the GeTe monolayer by means of doping, we systematically investigate the TE properties of the doped GeTe monolayers. By testing most of the atoms in Groups IIA\u2013VA, we found that Be, Mg, Sn, and Pb are possible dopants in view of their stability and electrical conductivity. It is shown that the doping atom types and the doping concentrations can make different influences on the electronic energy band structures, the phononic spectra, and the electronic (phononic) transmission spectra. Furthermore, the Seebeck coefficient\n S<\/jats:italic>\n , the electrical conductance\n G<\/jats:italic>\n , the power factor\n \n \n \n <\/jats:tex-math>\n \n \n \n S<\/mml:mi>\n 2<\/mml:mn>\n <\/mml:msup>\n G<\/mml:mi>\n <\/mml:mrow>\n <\/mml:math>\n <\/jats:inline-formula>\n , and the electronic (phononic) thermal conductances\n \n \n \n <\/jats:tex-math>\n \n \n \n \u03ba<\/mml:mi>\n \n \n e<\/mml:mi>\n (<\/mml:mo>\n ph<\/mml:mi>\n )<\/mml:mo>\n <\/mml:mrow>\n <\/mml:mrow>\n <\/mml:msub>\n <\/mml:mrow>\n <\/mml:math>\n <\/jats:inline-formula>\n will be changed to varying extents. Finally, we find that the resulting figures of merit\n ZT<\/jats:italic>\n s are closely dependent on the doping atom types and the doping concentration. In comparison with the pristine GeTe monolayer, the\n ZT<\/jats:italic>\n peaks of the doped one can be manipulated by the atomic doping. At appropriate doping concentrations for different doping atoms, these\n ZT<\/jats:italic>\n peaks can be improved. Our findings demonstrate the feasibility of using Be, Mg, Sn, and Pb as the dopants to enhance the TE performance of the GeTe monolayer.\n <\/jats:p>","DOI":"10.1088\/1361-6528\/ae6274","type":"journal-article","created":{"date-parts":[[2026,4,21]],"date-time":"2026-04-21T22:47:46Z","timestamp":1776811666000},"page":"185701","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Enhancing thermoelectric performance of GeTe monolayer via modulation doping at Ge sites"],"prefix":"10.1088","volume":"37","author":[{"ORCID":"https:\/\/orcid.org\/0009-0007-2302-598X","authenticated-orcid":true,"given":"L J","family":"Gong","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"R S","family":"Cheng","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Q Z","family":"Han","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J","family":"Yang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"H L","family":"Shi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Y H","family":"Zhao","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4088-1984","authenticated-orcid":true,"given":"Z T","family":"Jiang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"266","published-online":{"date-parts":[[2026,5,4]]},"reference":[{"key":"nanoae6274bib1","author":"Ioffe","year":"1957","type":"book"},{"key":"nanoae6274bib2","doi-asserted-by":"publisher","first-page":"8144","DOI":"10.1038\/ncomms9144","type":"journal-article","article-title":"Realizing high figure of merit in heavy-band p-type half-Heusler thermoelectric materials","volume":"6","author":"Fu","year":"2015","journal-title":"Nat. Commun."},{"key":"nanoae6274bib3","doi-asserted-by":"publisher","DOI":"10.1039\/C7TC04573E","type":"journal-article","article-title":"Suppressed intrinsic excitation and enhanced thermoelectric performance in AgxBi0.5Sb 1.5\u2212xTe3","volume":"5","author":"Xing","year":"2017","journal-title":"J. Mater. Chem. C"},{"key":"nanoae6274bib4","doi-asserted-by":"publisher","first-page":"3346","DOI":"10.1039\/c3ee42187b","type":"journal-article","article-title":"All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance","volume":"6","author":"Zhao","year":"2013","journal-title":"Energy Environ. Sci."},{"key":"nanoae6274bib5","doi-asserted-by":"publisher","first-page":"7006","DOI":"10.1021\/ja500860m","type":"journal-article","article-title":"High thermoelectric performance of p-type SnTe via a synergistic band engineering and nanostructuring approach","volume":"136","author":"Tan","year":"2014","journal-title":"J. Am. Chem. Soc."},{"key":"nanoae6274bib6","doi-asserted-by":"publisher","first-page":"743","DOI":"10.1002\/pssb.19680290224","type":"journal-article","article-title":"The low-temperature thermoelectric power and thermal conductivity of GeTe and of some GeTe-MnTe alloys","volume":"29","author":"Lewis","year":"1968","journal-title":"Phys. Status Solidi (b)"},{"key":"nanoae6274bib7","doi-asserted-by":"publisher","first-page":"e353","DOI":"10.1038\/am.2017.8","type":"journal-article","article-title":"Electronic origin of the high thermoelectric performance of GeTe among the p-type group IV monotellurides","volume":"9","author":"Li","year":"2017","journal-title":"NPG Asia Mater."},{"key":"nanoae6274bib8","doi-asserted-by":"publisher","first-page":"7171","DOI":"10.1021\/acs.chemmater.5b03434","type":"journal-article","article-title":"High thermoelectric performance and enhanced mechanical stability of p-type Ge 1\u2212xSbxTe","volume":"27","author":"Perumal","year":"2015","journal-title":"Chem. Mater."},{"key":"nanoae6274bib9","doi-asserted-by":"publisher","first-page":"815","DOI":"10.1002\/aenm.201200970","type":"journal-article","article-title":"Controlling metallurgical phase separation reactions of the Ge0.87Pb0.13Te alloy for high thermoelectric performance","volume":"3","author":"Gelbstein","year":"2013","journal-title":"Adv. Energy Mater."},{"key":"nanoae6274bib10","doi-asserted-by":"publisher","first-page":"5332","DOI":"10.1073\/pnas.1802020115","type":"journal-article","article-title":"Phase-transition temperature suppression to achieve cubic GeTe and high thermoelectric performance by Bi and Mn codoping","volume":"115","author":"Liu","year":"2018","journal-title":"Proc. Natl. Acad. Sci."},{"key":"nanoae6274bib11","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpcs.2024.111943","type":"journal-article","article-title":"Tuning the electronic structure of rhombohedral and cubic GeTe for thermoelectric application: Influence of molybdenum doping","volume":"188","author":"Shenoy","year":"2024","journal-title":"J. Phys. Chem. Solids"},{"key":"nanoae6274bib12","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.202421837","type":"journal-article","article-title":"Revisiting cobalt dopability in GeTe system to design modulation-doped thermoelectrics","volume":"35","author":"Hu","year":"2025","journal-title":"Adv. Funct. Mater."},{"key":"nanoae6274bib13","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2022.137278","type":"journal-article","article-title":"The effect of rare earth element doping on thermoelectric properties of GeTe","volume":"446","author":"Lyu","year":"2022","journal-title":"Chem. Eng. J."},{"key":"nanoae6274bib14","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.202419431","type":"journal-article","article-title":"High thermoelectric performance and energy conversion in Hg-doped GeTe","volume":"35","author":"Guo","year":"2025","journal-title":"Adv. Funct. Mater."},{"key":"nanoae6274bib15","doi-asserted-by":"publisher","first-page":"5439","DOI":"10.1016\/j.matpr.2021.02.117","type":"journal-article","article-title":"First principle calculations of GeTe and Ge2TeSe monolayers: structural, electronic and thermoelectric properties","volume":"45","author":"Singh","year":"2021","journal-title":"Mater. Today: Proc."},{"key":"nanoae6274bib16","doi-asserted-by":"publisher","first-page":"59","DOI":"10.30919\/esee8c934","type":"journal-article","article-title":"XTe (X = Ge, Sn, Pb) monolayers: promising thermoelectric materials with ultralow lattice thermal conductivity and high power factor","volume":"10","author":"Zhang","year":"2020","journal-title":"ES Energy Environ."},{"key":"nanoae6274bib17","doi-asserted-by":"publisher","DOI":"10.1088\/1361-6528\/ad88e1","type":"journal-article","article-title":"High thermoelectric performances of monolayer GeTe allotropes","volume":"36","author":"Gong","year":"2025","journal-title":"Nanotechnology"},{"key":"nanoae6274bib18","doi-asserted-by":"publisher","first-page":"1456","DOI":"10.1002\/jcc.21759","type":"journal-article","article-title":"Effect of the damping function in dispersion corrected density functional theory","volume":"32","author":"Grimme","year":"2011","journal-title":"J. Comput. Chem."},{"key":"nanoae6274bib19","doi-asserted-by":"publisher","first-page":"88","DOI":"10.1103\/PhysRevA.25.88","type":"journal-article","article-title":"Fitting the Coulomb potential variationally in linear-combination-of-atomic-orbitals density-functional calculations","volume":"25","author":"Mintmire","year":"1982","journal-title":"Phys. Rev. A"},{"key":"nanoae6274bib20","doi-asserted-by":"publisher","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","type":"journal-article","article-title":"Generalized gradient approximation made simple","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"nanoae6274bib21","doi-asserted-by":"publisher","first-page":"551","DOI":"10.1103\/PhysRevB.33.551","type":"journal-article","article-title":"Multichannel Landauer formula for thermoelectric transport with application to thermopower near the mobility edge","volume":"33","author":"Sivan","year":"1986","journal-title":"Phys. Rev. B"},{"key":"nanoae6274bib22","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.73.085406","type":"journal-article","article-title":"Thermoelectric properties of a nanocontact made of two-capped single-wall carbon nanotubes calculated within the tight-binding approximation","volume":"73","author":"Esfarjani","year":"2006","journal-title":"Phys. Rev. B"},{"key":"nanoae6274bib23","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.102.245412","type":"journal-article","article-title":"Linear and nonlinear thermoelectric transport in a magnetic topological insulator nanoribbon with a domain wall","volume":"102","author":"Yang","year":"2020","journal-title":"Phys. Rev. B"},{"key":"nanoae6274bib24","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP00738B","type":"journal-article","article-title":"Anomalous in-plane lattice thermal conductivity in an atomically thin two-dimensional \u03b1-GeTe layer","volume":"22","author":"Marfoua","year":"2020","journal-title":"Phys. Chem. Chem. Phys."}],"container-title":["Nanotechnology"],"original-title":[],"link":[{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6528\/ae6274","content-type":"text\/html","content-version":"am","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6528\/ae6274\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6528\/ae6274","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6528\/ae6274\/pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6528\/ae6274\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"syndication"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6528\/ae6274\/pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6528\/ae6274\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"similarity-checking"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6528\/ae6274\/pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,5,4]],"date-time":"2026-05-04T07:10:12Z","timestamp":1777878612000},"score":1,"resource":{"primary":{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-6528\/ae6274"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,5,4]]},"references-count":24,"journal-issue":{"issue":"18","published-online":{"date-parts":[[2026,5,4]]},"published-print":{"date-parts":[[2026,5,8]]}},"URL":"https:\/\/doi.org\/10.1088\/1361-6528\/ae6274","relation":{},"ISSN":["0957-4484","1361-6528"],"issn-type":[{"value":"0957-4484","type":"print"},{"value":"1361-6528","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,5,4]]},"assertion":[{"value":"Enhancing thermoelectric performance of GeTe monolayer via modulation doping at Ge sites","name":"article_title","label":"Article Title"},{"value":"Nanotechnology","name":"journal_title","label":"Journal Title"},{"value":"paper","name":"article_type","label":"Article Type"},{"value":"\u00a9 2026 IOP Publishing Ltd. All rights, including for text and data mining, AI training, and similar technologies, are reserved.","name":"copyright_information","label":"Copyright Information"},{"value":"2026-01-29","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-04-21","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2026-05-04","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}