{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,24]],"date-time":"2026-07-24T21:34:51Z","timestamp":1784928891107,"version":"3.55.0"},"reference-count":64,"publisher":"Royal Society of Chemistry (RSC)","issue":"19","license":[{"start":{"date-parts":[[2027,4,2]],"date-time":"2027-04-02T00:00:00Z","timestamp":1806624000000},"content-version":"am","delay-in-days":456,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>Two-dimensional Janus materials, characterized by their asymmetric surface composition, offer unique opportunities for tailoring electronic and mechanical properties.<\/jats:p>","DOI":"10.1039\/d6cp00149a","type":"journal-article","created":{"date-parts":[[2026,4,2]],"date-time":"2026-04-02T10:41:01Z","timestamp":1775126461000},"page":"11652-11662","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Polymorphic Janus ZrSC monolayer: a first-principles study of structural, mechanical, vibrational, and electronic properties"],"prefix":"10.1039","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0486-0721","authenticated-orcid":false,"given":"A. O.","family":"Orega","sequence":"first","affiliation":[{"name":"Department of Physics, University of Pretoria, Pretoria, South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-1500-2670","authenticated-orcid":false,"given":"C.","family":"Fwalo","sequence":"additional","affiliation":[{"name":"Department of Physics, University of Pretoria, Pretoria, South Africa"},{"name":"Department of Physics, Copperbelt University, Kitwe, Zambia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-7425-2645","authenticated-orcid":false,"given":"B. D.","family":"Mahapane","sequence":"additional","affiliation":[{"name":"Department of Physics, University of Pretoria, Pretoria, South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6048-2775","authenticated-orcid":false,"given":"R. E.","family":"Mapasha","sequence":"additional","affiliation":[{"name":"Department of Physics, University of Pretoria, Pretoria, South Africa"},{"name":"National Institute for Theoretical, and Computational Sciences, Matieland, Private Bag X1, Western Cape, South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6CP00149A\/cit1\/1","doi-asserted-by":"crossref","first-page":"106671","DOI":"10.1016\/j.isci.2023.106671","volume":"26","author":"Kumbhakar","year":"2023","journal-title":"iScience"},{"key":"D6CP00149A\/cit2\/1","doi-asserted-by":"crossref","first-page":"2695","DOI":"10.1021\/nn1003937","volume":"4","author":"Lee","year":"2010","journal-title":"ACS Nano"},{"key":"D6CP00149A\/cit3\/1","doi-asserted-by":"crossref","first-page":"100637","DOI":"10.1016\/j.pmatsci.2020.100637","volume":"111","author":"Tao","year":"2020","journal-title":"Prog. Mater. Sci."},{"key":"D6CP00149A\/cit4\/1","doi-asserted-by":"crossref","first-page":"2300093","DOI":"10.1002\/smsc.202300093","volume":"4","author":"Kim","year":"2024","journal-title":"Small Sci."},{"key":"D6CP00149A\/cit5\/1","doi-asserted-by":"crossref","first-page":"033012","DOI":"10.1149\/2162-8777\/ac5a6f","volume":"11","author":"Kumar","year":"2022","journal-title":"ECS J. Solid State Sci. Technol."},{"issue":"4","key":"D6CP00149A\/cit6\/1","doi-asserted-by":"crossref","first-page":"2210236","DOI":"10.1002\/adfm.202210236","volume":"33","author":"Chen","year":"2023","journal-title":"Adv. Funct. Mater."},{"key":"D6CP00149A\/cit7\/1","doi-asserted-by":"crossref","first-page":"744","DOI":"10.1038\/nnano.2017.100","volume":"12","author":"Lu","year":"2017","journal-title":"Nat. Nanotechnol."},{"key":"D6CP00149A\/cit8\/1","doi-asserted-by":"crossref","first-page":"1900261","DOI":"10.1002\/pssb.201900261","volume":"256","author":"Yu","year":"2019","journal-title":"phys. Status Solidi B"},{"key":"D6CP00149A\/cit9\/1","doi-asserted-by":"crossref","first-page":"e2200574","DOI":"10.1002\/adma.202200574","volume":"34","author":"Majed","year":"2022","journal-title":"Adv. Mater."},{"key":"D6CP00149A\/cit10\/1","doi-asserted-by":"crossref","first-page":"16559","DOI":"10.1021\/acs.jpcc.5c05097","volume":"129","author":"Martins","year":"2025","journal-title":"J. Phys. Chem. C"},{"key":"D6CP00149A\/cit11\/1","doi-asserted-by":"crossref","first-page":"12795","DOI":"10.1021\/acs.chemrev.3c00005","volume":"123","author":"Kawashima","year":"2023","journal-title":"Chem. Rev."},{"key":"D6CP00149A\/cit12\/1","doi-asserted-by":"crossref","first-page":"33926","DOI":"10.1016\/j.ceramint.2022.07.341","volume":"48","author":"Kuang","year":"2022","journal-title":"Ceram. Int."},{"key":"D6CP00149A\/cit13\/1","doi-asserted-by":"crossref","first-page":"2502416","DOI":"10.1002\/aenm.202502416","volume":"15","author":"Ma","year":"2025","journal-title":"Adv. Energy Mater."},{"key":"D6CP00149A\/cit14\/1","author":"Edossa","year":"2024","unstructured":"T. G.Edossa ,  2024"},{"key":"D6CP00149A\/cit15\/1","first-page":"395502","volume":"21","author":"Giannozzi","year":"2009","journal-title":"J. Phys.: Condens. Matter"},{"key":"D6CP00149A\/cit16\/1","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"D6CP00149A\/cit17\/1","doi-asserted-by":"crossref","first-page":"154104","DOI":"10.1063\/1.3382344","volume":"132","author":"Grimme","year":"2010","journal-title":"J. Chem. Phys."},{"key":"D6CP00149A\/cit18\/1","doi-asserted-by":"crossref","first-page":"41058","DOI":"10.1039\/C9RA08605F","volume":"9","author":"Vu","year":"2019","journal-title":"RSC Adv."},{"key":"D6CP00149A\/cit19\/1","doi-asserted-by":"crossref","first-page":"856","DOI":"10.1039\/D1NH00113B","volume":"6","author":"Hess","year":"2021","journal-title":"Nanoscale Horiz."},{"key":"D6CP00149A\/cit20\/1","doi-asserted-by":"crossref","first-page":"174702","DOI":"10.1063\/1.4827082","volume":"139","author":"Hu","year":"2013","journal-title":"J. Chem. Phys."},{"key":"D6CP00149A\/cit21\/1","doi-asserted-by":"crossref","first-page":"2719","DOI":"10.1021\/acs.langmuir.2c03185","volume":"39","author":"Huang","year":"2023","journal-title":"Langmuir"},{"key":"D6CP00149A\/cit22\/1","doi-asserted-by":"crossref","first-page":"2471","DOI":"10.1103\/PhysRevLett.55.2471","volume":"55","author":"Car","year":"1985","journal-title":"Phys. Rev. Lett."},{"key":"D6CP00149A\/cit23\/1","doi-asserted-by":"crossref","first-page":"515","DOI":"10.1103\/RevModPhys.73.515","volume":"73","author":"Baroni","year":"2001","journal-title":"Rev. Mod. Phys."},{"key":"D6CP00149A\/cit24\/1","doi-asserted-by":"crossref","first-page":"035105","DOI":"10.1103\/PhysRevB.71.035105","volume":"71","author":"Cococcioni","year":"2005","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D6CP00149A\/cit25\/1","first-page":"78","volume":"39","author":"Bychkov","year":"1984","journal-title":"JETP Lett."},{"key":"D6CP00149A\/cit26\/1","author":"Tyulnev","unstructured":"I.Tyulnev ,  J.Poborska ,  \u00c1.Jim\u00e9nez-Gal\u00e1n ,  L.Vamos ,  O.Smirnova ,  M.Ivanov  and  J.Biegert , in Proceedings of the 8th International Conference on Attosecond Science and Technology, 2024, Ch. Chapter 19, pp. 195\u2013202"},{"key":"D6CP00149A\/cit27\/1","doi-asserted-by":"crossref","first-page":"15815","DOI":"10.1038\/ncomms15815","volume":"8","author":"Falin","year":"2017","journal-title":"Nat. Commun."},{"key":"D6CP00149A\/cit28\/1","doi-asserted-by":"crossref","first-page":"9703","DOI":"10.1021\/nn203879f","volume":"5","author":"Bertolazzi","year":"2011","journal-title":"ACS Nano"},{"key":"D6CP00149A\/cit29\/1","doi-asserted-by":"crossref","first-page":"13303","DOI":"10.1021\/jp2000442","volume":"115","author":"Ataca","year":"2011","journal-title":"J. Phys. Chem. C"},{"key":"D6CP00149A\/cit30\/1","doi-asserted-by":"crossref","first-page":"7535","DOI":"10.1021\/acsaem.3c00950","volume":"6","author":"Ali","year":"2023","journal-title":"ACS Appl. Energy Mater."},{"key":"D6CP00149A\/cit31\/1","doi-asserted-by":"crossref","first-page":"903","DOI":"10.1016\/j.rinp.2018.10.028","volume":"12","author":"Abutalib","year":"2019","journal-title":"Results Phys."},{"key":"D6CP00149A\/cit32\/1","author":"Frenkel","year":"2002","unstructured":"D.Frenkel  and  B.Smit ,  2002"},{"key":"D6CP00149A\/cit33\/1","doi-asserted-by":"crossref","first-page":"4182","DOI":"10.1103\/PhysRevLett.71.4182","volume":"71","author":"Wang","year":"1993","journal-title":"Phys. Rev. Lett."},{"key":"D6CP00149A\/cit34\/1","author":"Song","year":"2021","unstructured":"Q.Song ,  X.Liu ,  H.Wang ,  X.Wang ,  Y.Ni  and  H.Wang ,  2021"},{"issue":"9","key":"D6CP00149A\/cit35\/1","doi-asserted-by":"crossref","first-page":"1700033","DOI":"10.1002\/pssb.201700033","volume":"254","author":"Zhao","year":"2017","journal-title":"Phys. Status Solidi (b)"},{"key":"D6CP00149A\/cit36\/1","doi-asserted-by":"crossref","first-page":"044002","DOI":"10.1088\/2053-1583\/ac1059","volume":"8","author":"Gjerding","year":"2021","journal-title":"2D Mater."},{"key":"D6CP00149A\/cit37\/1","doi-asserted-by":"crossref","first-page":"2702","DOI":"10.1039\/C5CS00151J","volume":"44","author":"Voiry","year":"2015","journal-title":"Chem. Soc. Rev."},{"key":"D6CP00149A\/cit38\/1","doi-asserted-by":"crossref","first-page":"3952","DOI":"10.1039\/D0CS00143K","volume":"49","author":"Sokolikova","year":"2020","journal-title":"Chem. Soc. Rev."},{"key":"D6CP00149A\/cit39\/1","doi-asserted-by":"crossref","first-page":"5829","DOI":"10.1039\/D3NA00347G","volume":"5","author":"Gul","year":"2023","journal-title":"Nanoscale Adv."},{"key":"D6CP00149A\/cit40\/1","doi-asserted-by":"crossref","first-page":"108254","DOI":"10.1016\/j.mtcomm.2024.108254","volume":"38","author":"Herabad","year":"2024","journal-title":"Mater. Today Commun."},{"key":"D6CP00149A\/cit41\/1","doi-asserted-by":"crossref","first-page":"8354","DOI":"10.1021\/acs.jpcc.5c00765","volume":"129","author":"Aliyev","year":"2025","journal-title":"J. Phys. Chem. C"},{"key":"D6CP00149A\/cit42\/1","doi-asserted-by":"crossref","first-page":"40603","DOI":"10.1038\/srep40603","volume":"7","author":"Sankar","year":"2017","journal-title":"Sci. Rep."},{"key":"D6CP00149A\/cit43\/1","doi-asserted-by":"crossref","first-page":"4591","DOI":"10.3390\/ma17184591","volume":"17","author":"Szalowski","year":"2024","journal-title":"Materials"},{"key":"D6CP00149A\/cit44\/1","doi-asserted-by":"crossref","first-page":"17348","DOI":"10.1021\/acs.langmuir.4c01480","volume":"40","author":"Zhang","year":"2024","journal-title":"Langmuir"},{"key":"D6CP00149A\/cit45\/1","doi-asserted-by":"crossref","first-page":"603","DOI":"10.1039\/C8TA09177C","volume":"7","author":"Peng","year":"2019","journal-title":"J. Mater. Chem. A"},{"key":"D6CP00149A\/cit46\/1","author":"Chaurasiya","year":"2018","unstructured":"R.Chaurasiya  and  A.Dixit ,  2018"},{"key":"D6CP00149A\/cit47\/1","doi-asserted-by":"crossref","first-page":"3918","DOI":"10.1103\/PhysRevLett.75.3918","volume":"75","author":"Nagashima","year":"1995","journal-title":"Phys. Rev. Lett."},{"key":"D6CP00149A\/cit48\/1","doi-asserted-by":"crossref","first-page":"8207","DOI":"10.1063\/1.1564060","volume":"118","author":"Heyd","year":"2003","journal-title":"J. Chem. Phys."},{"issue":"1","key":"D6CP00149A\/cit49\/1","doi-asserted-by":"crossref","first-page":"015103","DOI":"10.1063\/5.0279109","volume":"138","author":"Zheng","year":"2025","journal-title":"J. Appl. Phys."},{"key":"D6CP00149A\/cit50\/1","doi-asserted-by":"crossref","first-page":"42","DOI":"10.1038\/s41699-024-00479-4","volume":"8","author":"Pan","year":"2024","journal-title":"npj 2D Mater. Appl."},{"key":"D6CP00149A\/cit51\/1","doi-asserted-by":"crossref","first-page":"8983","DOI":"10.1021\/jp212558p","volume":"116","author":"Ataca","year":"2012","journal-title":"J. Phys. Chem. C"},{"key":"D6CP00149A\/cit52\/1","doi-asserted-by":"crossref","first-page":"1755","DOI":"10.1038\/srep01755","volume":"3","author":"Berkdemir","year":"2013","journal-title":"Sci. Rep."},{"key":"D6CP00149A\/cit53\/1","doi-asserted-by":"crossref","first-page":"264","DOI":"10.3390\/app6090264","volume":"6","author":"Ma\u00f1as-Valero","year":"2016","journal-title":"Appl. Sci."},{"key":"D6CP00149A\/cit54\/1","doi-asserted-by":"crossref","first-page":"103284","DOI":"10.1016\/j.rinp.2020.103284","volume":"18","author":"Barakat","year":"2020","journal-title":"Results Phys."},{"key":"D6CP00149A\/cit55\/1","doi-asserted-by":"crossref","first-page":"136805","DOI":"10.1103\/PhysRevLett.105.136805","volume":"105","author":"Mak","year":"2010","journal-title":"Phys. Rev. Lett."},{"issue":"10","key":"D6CP00149A\/cit56\/1","doi-asserted-by":"crossref","first-page":"105055","DOI":"10.1088\/2053-1591\/ab3ac8","volume":"6","author":"Zhang","year":"2019","journal-title":"Mater. Res. Express"},{"issue":"15","key":"D6CP00149A\/cit57\/1","doi-asserted-by":"crossref","first-page":"7396","DOI":"10.1039\/c3ra46090h","volume":"4","author":"Li","year":"2014","journal-title":"RSC Adv."},{"key":"D6CP00149A\/cit58\/1","doi-asserted-by":"crossref","first-page":"e202301351","DOI":"10.1002\/slct.202301351","volume":"8","author":"Mezher","year":"2023","journal-title":"ChemistrySelect"},{"key":"D6CP00149A\/cit59\/1","doi-asserted-by":"crossref","first-page":"470","DOI":"10.1038\/nature13792","volume":"514","author":"Wu","year":"2014","journal-title":"Nature"},{"key":"D6CP00149A\/cit60\/1","doi-asserted-by":"crossref","first-page":"1505","DOI":"10.1103\/PhysRevB.57.1505","volume":"57","author":"Dudarev","year":"1998","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D6CP00149A\/cit61\/1","first-page":"767","volume":"9","author":"Anisimov","year":"1997","journal-title":"J. Phys.: Condens. Matter"},{"key":"D6CP00149A\/cit62\/1","doi-asserted-by":"crossref","first-page":"035105","DOI":"10.1103\/PhysRevB.71.035105","volume":"71","author":"Cococcioni","year":"2005","journal-title":"Phys. Rev. B:Condens. Matter Mater. Phys."},{"key":"D6CP00149A\/cit63\/1","doi-asserted-by":"crossref","first-page":"103001","DOI":"10.1103\/PhysRevLett.97.103001","volume":"97","author":"Kulik","year":"2006","journal-title":"Phys. Rev. Lett."},{"key":"D6CP00149A\/cit64\/1","doi-asserted-by":"crossref","first-page":"226401","DOI":"10.1103\/PhysRevLett.102.226401","volume":"102","author":"Tran","year":"2009","journal-title":"Phys. Rev. Lett."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2026\/CP\/D6CP00149A","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T18:07:04Z","timestamp":1783015624000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/28\/19\/11652-11662\/1242020"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":64,"journal-issue":{"issue":"19","published-print":{"date-parts":[[2026,5,20]]}},"URL":"https:\/\/doi.org\/10.1039\/d6cp00149a","relation":{"has-review":[{"id-type":"doi","id":"10.1039\/D6CP00149A\/v1\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00149A\/v1\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00149A\/v2\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00149A\/v2\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00149A\/v1\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00149A\/v2\/review1","asserted-by":"object"}]},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}