{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,8]],"date-time":"2026-07-08T03:33:17Z","timestamp":1783481597975,"version":"3.55.0"},"reference-count":81,"publisher":"Royal Society of Chemistry (RSC)","issue":"6","license":[{"start":{"date-parts":[[2023,11,15]],"date-time":"2023-11-15T00:00:00Z","timestamp":1700006400000},"content-version":"am","delay-in-days":318,"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>Janus zirconium halide monolayers with higher lattice thermal conductivity and visible-light absorption are potential candidates for optoelectronic and photocatalytic applications.<\/jats:p>","DOI":"10.1039\/d2cp04002f","type":"journal-article","created":{"date-parts":[[2022,11,15]],"date-time":"2022-11-15T10:01:24Z","timestamp":1668506484000},"page":"4690-4700","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Janus zirconium halide ZrXY (X, Y = Br, Cl and F) monolayers with high lattice thermal conductivity and strong visible-light absorption"],"prefix":"10.1039","volume":"25","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2741-0571","authenticated-orcid":false,"given":"Janpreet","family":"Singh","sequence":"first","affiliation":[{"name":"Department of Physics, Akal University, Talwandi Sabo, Punjab, 151302, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gurinder","family":"Singh","sequence":"additional","affiliation":[{"name":"Department of UIET, Panjab University SSG Regional Centre, Hoshiarpur, Punjab, 146021, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Surya Kant","family":"Tripathi","sequence":"additional","affiliation":[{"name":"Department of Physics, Centre of Advanced Study in Physics, Panjab University, Chandigarh, 160014, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2023]]},"reference":[{"key":"D2CP04002F\/cit1\/1","doi-asserted-by":"crossref","first-page":"666","DOI":"10.1126\/science.1102896","volume":"306","author":"Novoselov","year":"2004","journal-title":"Science"},{"key":"D2CP04002F\/cit2\/1","doi-asserted-by":"crossref","first-page":"4033","DOI":"10.1021\/nn501226z","volume":"8","author":"Liu","year":"2014","journal-title":"ACS Nano"},{"key":"D2CP04002F\/cit3\/1","doi-asserted-by":"crossref","first-page":"699","DOI":"10.1038\/nnano.2012.193","volume":"7","author":"Wang","year":"2012","journal-title":"Nat. Nanotechnol."},{"key":"D2CP04002F\/cit4\/1","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1016\/j.physb.2018.05.034","volume":"545","author":"Ahmad","year":"2018","journal-title":"Phys. B"},{"key":"D2CP04002F\/cit5\/1","doi-asserted-by":"crossref","first-page":"085423","DOI":"10.1103\/PhysRevB.91.085423","volume":"91","author":"Kamal","year":"2015","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP04002F\/cit6\/1","doi-asserted-by":"crossref","first-page":"044013","DOI":"10.1103\/PhysRevApplied.8.044013","volume":"8","author":"Sharma","year":"2017","journal-title":"Phys. Rev. Appl."},{"key":"D2CP04002F\/cit7\/1","doi-asserted-by":"crossref","first-page":"223109","DOI":"10.1063\/1.3524215","volume":"97","author":"Lalmi","year":"2010","journal-title":"Appl. Phys. Lett."},{"key":"D2CP04002F\/cit8\/1","doi-asserted-by":"crossref","first-page":"992","DOI":"10.1002\/adma.201304138","volume":"26","author":"Naguib","year":"2014","journal-title":"Adv. Mater."},{"key":"D2CP04002F\/cit9\/1","doi-asserted-by":"crossref","first-page":"494","DOI":"10.1038\/nnano.2012.96","volume":"7","author":"Mak","year":"2012","journal-title":"Nat. Nanotechnol."},{"key":"D2CP04002F\/cit10\/1","doi-asserted-by":"crossref","first-page":"707","DOI":"10.1038\/nnano.2015.112","volume":"10","author":"Yuan","year":"2015","journal-title":"Nat. Nanotechnol."},{"key":"D2CP04002F\/cit11\/1","doi-asserted-by":"crossref","first-page":"4076","DOI":"10.1002\/adfm.201500969","volume":"25","author":"Zhang","year":"2015","journal-title":"Adv. Funct. Mater."},{"key":"D2CP04002F\/cit12\/1","doi-asserted-by":"crossref","first-page":"9236","DOI":"10.1021\/acsnano.5b04036","volume":"9","author":"Miao","year":"2015","journal-title":"ACS Nano"},{"key":"D2CP04002F\/cit13\/1","doi-asserted-by":"crossref","first-page":"47243","DOI":"10.1039\/C7RA08828K","volume":"7","author":"Qin","year":"2017","journal-title":"RSC Adv."},{"key":"D2CP04002F\/cit14\/1","doi-asserted-by":"crossref","first-page":"25216","DOI":"10.1039\/C9RA04470A","volume":"9","author":"Bera","year":"2019","journal-title":"RSC Adv."},{"key":"D2CP04002F\/cit15\/1","first-page":"36","volume":"95","author":"Jacoby","year":"2017","journal-title":"Chem. Eng. News"},{"key":"D2CP04002F\/cit16\/1","doi-asserted-by":"crossref","first-page":"22855","DOI":"10.1039\/C7TA06971E","volume":"5","author":"Wang","year":"2017","journal-title":"J. Mater. Chem. A"},{"key":"D2CP04002F\/cit17\/1","doi-asserted-by":"crossref","first-page":"2254","DOI":"10.1016\/j.physb.2011.03.044","volume":"406","author":"Ding","year":"2011","journal-title":"Phys. B"},{"key":"D2CP04002F\/cit18\/1","doi-asserted-by":"crossref","first-page":"885","DOI":"10.1021\/acsnano.8b08677","volume":"13","author":"Zhang","year":"2018","journal-title":"ACS Nano"},{"key":"D2CP04002F\/cit19\/1","doi-asserted-by":"crossref","first-page":"13168","DOI":"10.1103\/PhysRevB.50.13168","volume":"50","author":"Sicron","year":"1994","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP04002F\/cit20\/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":"D2CP04002F\/cit21\/1","doi-asserted-by":"crossref","first-page":"8192","DOI":"10.1021\/acsnano.7b03186","volume":"11","author":"Zhang","year":"2017","journal-title":"ACS Nano"},{"key":"D2CP04002F\/cit22\/1","doi-asserted-by":"crossref","first-page":"031013","DOI":"10.1088\/2053-1583\/aac652","volume":"5","author":"F\u00fcl\u00f6p","year":"2018","journal-title":"2D Mater."},{"key":"D2CP04002F\/cit23\/1","doi-asserted-by":"crossref","first-page":"34963","DOI":"10.1021\/acsami.2c07704","volume":"14","author":"Bianca","year":"2022","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"D2CP04002F\/cit24\/1","doi-asserted-by":"crossref","first-page":"155410","DOI":"10.1103\/PhysRevB.97.155410","volume":"97","author":"Kandemir","year":"2018","journal-title":"Phys. Rev. B"},{"key":"D2CP04002F\/cit25\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.spmi.2018.10.020","volume":"125","author":"Bui","year":"2019","journal-title":"Superlattices Microstruct."},{"key":"D2CP04002F\/cit26\/1","doi-asserted-by":"crossref","first-page":"17230","DOI":"10.1039\/D1RA02324A","volume":"11","author":"Ahmad","year":"2021","journal-title":"RSC Adv."},{"key":"D2CP04002F\/cit27\/1","doi-asserted-by":"crossref","first-page":"8242","DOI":"10.1021\/acsnano.7b03313","volume":"11","author":"Dong","year":"2017","journal-title":"ACS Nano"},{"key":"D2CP04002F\/cit28\/1","doi-asserted-by":"crossref","first-page":"2295","DOI":"10.1039\/C7TA10015A","volume":"6","author":"Ma","year":"2018","journal-title":"J. Mater. Chem. A"},{"key":"D2CP04002F\/cit29\/1","first-page":"29335","volume":"12","author":"Ju","year":"2020","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"D2CP04002F\/cit30\/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":"D2CP04002F\/cit31\/1","doi-asserted-by":"crossref","first-page":"114579","DOI":"10.1016\/j.ssc.2021.114579","volume":"341","author":"Khosa","year":"2022","journal-title":"Solid State Commun."},{"key":"D2CP04002F\/cit32\/1","doi-asserted-by":"crossref","first-page":"7236","DOI":"10.1039\/C8CP00350E","volume":"20","author":"Guo","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D2CP04002F\/cit33\/1","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1016\/j.commatsci.2019.01.035","volume":"161","author":"Guo","year":"2019","journal-title":"Comput. Mater. Sci."},{"key":"D2CP04002F\/cit34\/1","doi-asserted-by":"crossref","first-page":"109490","DOI":"10.1016\/j.jpcs.2020.109490","volume":"144","author":"Hoat","year":"2020","journal-title":"J. Phys. Chem. Solids"},{"key":"D2CP04002F\/cit35\/1","doi-asserted-by":"crossref","first-page":"105716","DOI":"10.1016\/j.nanoen.2020.105716","volume":"82","author":"Mortazavi","year":"2021","journal-title":"Nano Energy"},{"key":"D2CP04002F\/cit36\/1","doi-asserted-by":"crossref","first-page":"2102807","DOI":"10.1002\/adma.202102807","volume":"33","author":"Mortazavi","year":"2021","journal-title":"Adv. Mater."},{"key":"D2CP04002F\/cit37\/1","doi-asserted-by":"crossref","first-page":"101995","DOI":"10.1016\/j.mtcomm.2020.101995","volume":"26","author":"Xiong","year":"2021","journal-title":"Mater. Today Commun."},{"key":"D2CP04002F\/cit38\/1","first-page":"395502","volume":"21","author":"Giannozzi","year":"2009","journal-title":"J. Phys.: Condens. Matter"},{"key":"D2CP04002F\/cit39\/1","first-page":"465901","volume":"29","author":"Giannozzi","year":"2017","journal-title":"J. Phys.: Condens. Matter"},{"key":"D2CP04002F\/cit40\/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":"D2CP04002F\/cit41\/1","doi-asserted-by":"crossref","first-page":"5188","DOI":"10.1103\/PhysRevB.13.5188","volume":"13","author":"Monkhorst","year":"1976","journal-title":"Phys. Rev. B: Solid State"},{"key":"D2CP04002F\/cit42\/1","unstructured":"https:\/\/dalcorso.github.io\/thermo_pw\/"},{"key":"D2CP04002F\/cit43\/1","doi-asserted-by":"crossref","first-page":"1747","DOI":"10.1016\/j.cpc.2014.02.015","volume":"185","author":"Li","year":"2014","journal-title":"Comput. Phys. Commun."},{"key":"D2CP04002F\/cit44\/1","doi-asserted-by":"crossref","first-page":"054115","DOI":"10.1103\/PhysRevB.76.054115","volume":"76","author":"Wu","year":"2007","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP04002F\/cit45\/1","doi-asserted-by":"crossref","first-page":"224104","DOI":"10.1103\/PhysRevB.90.224104","volume":"90","author":"Mouhat","year":"2014","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP04002F\/cit46\/1","doi-asserted-by":"crossref","first-page":"16223","DOI":"10.1103\/PhysRevB.49.16223","volume":"49","author":"Bl\u00f6chl","year":"1994","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP04002F\/cit47\/1","doi-asserted-by":"crossref","first-page":"114223","DOI":"10.1016\/j.ssc.2021.114223","volume":"327","author":"Bolen","year":"2021","journal-title":"Solid State Commun."},{"key":"D2CP04002F\/cit48\/1","doi-asserted-by":"crossref","first-page":"045415","DOI":"10.1103\/PhysRevB.100.045415","volume":"100","author":"Yagmurcukardes","year":"2019","journal-title":"Phys. Rev. B"},{"key":"D2CP04002F\/cit49\/1","doi-asserted-by":"crossref","first-page":"39672","DOI":"10.1039\/D1RA07876C","volume":"11","author":"Linh","year":"2021","journal-title":"RSC Adv."},{"key":"D2CP04002F\/cit50\/1","doi-asserted-by":"crossref","first-page":"5397","DOI":"10.1063\/1.458517","volume":"92","author":"Becke","year":"1990","journal-title":"J. Chem. Phys."},{"key":"D2CP04002F\/cit51\/1","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1002\/anie.199201871","volume":"31","author":"Savin","year":"1992","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"D2CP04002F\/cit52\/1","doi-asserted-by":"crossref","first-page":"1808","DOI":"10.1002\/anie.199718081","volume":"36","author":"Savin","year":"1997","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"D2CP04002F\/cit53\/1","doi-asserted-by":"crossref","first-page":"124","DOI":"10.1016\/j.jssc.2018.01.021","volume":"260","author":"Singh","year":"2018","journal-title":"J. Solid State Chem."},{"key":"D2CP04002F\/cit54\/1","first-page":"084204","volume":"21","author":"Tang","year":"2009","journal-title":"J. Phys.: Condens. Matter"},{"key":"D2CP04002F\/cit55\/1","doi-asserted-by":"crossref","first-page":"899","DOI":"10.1002\/jcc.20575","volume":"28","author":"Sanville","year":"2007","journal-title":"J. Comput. Chem."},{"key":"D2CP04002F\/cit56\/1","doi-asserted-by":"crossref","first-page":"1087","DOI":"10.1021\/jz502646d","volume":"6","author":"Singh","year":"2015","journal-title":"J. Phys. Chem. Lett."},{"key":"D2CP04002F\/cit57\/1","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1016\/j.jcat.2018.01.005","volume":"359","author":"Kumar","year":"2018","journal-title":"J. Catal."},{"key":"D2CP04002F\/cit58\/1","doi-asserted-by":"crossref","first-page":"3610","DOI":"10.1021\/ac5002096","volume":"86","author":"Yuan","year":"2014","journal-title":"Anal. Chem."},{"key":"D2CP04002F\/cit59\/1","doi-asserted-by":"crossref","first-page":"68","DOI":"10.1002\/anie.201101182","volume":"51","author":"Wang","year":"2012","journal-title":"Angew. Chem., Int. Ed."},{"key":"D2CP04002F\/cit60\/1","doi-asserted-by":"crossref","first-page":"4335","DOI":"10.1103\/PhysRevB.48.4335","volume":"48","author":"Xu","year":"1993","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP04002F\/cit61\/1","doi-asserted-by":"crossref","first-page":"105009","DOI":"10.1088\/1367-2630\/16\/10\/105009","volume":"16","author":"Restrepo","year":"2014","journal-title":"New J. Phys."},{"key":"D2CP04002F\/cit62\/1","first-page":"1","volume":"5","author":"Xiao","year":"2015","journal-title":"Sci. Rep."},{"key":"D2CP04002F\/cit63\/1","doi-asserted-by":"crossref","first-page":"1698","DOI":"10.1002\/ange.201507568","volume":"128","author":"Zhang","year":"2016","journal-title":"Angew. Chem."},{"key":"D2CP04002F\/cit64\/1","doi-asserted-by":"crossref","first-page":"11694","DOI":"10.1039\/C8TC03618G","volume":"6","author":"Zhang","year":"2018","journal-title":"J. Mater. Chem. C"},{"key":"D2CP04002F\/cit65\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/s41598-019-40882-2","volume":"9","author":"Zulfiqar","year":"2019","journal-title":"Sci. Rep."},{"key":"D2CP04002F\/cit66\/1","doi-asserted-by":"crossref","first-page":"184303","DOI":"10.1103\/PhysRevB.85.184303","volume":"85","author":"Tian","year":"2012","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP04002F\/cit67\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/s41598-016-0001-8","volume":"6","author":"Peng","year":"2016","journal-title":"Sci. Rep."},{"key":"D2CP04002F\/cit68\/1","doi-asserted-by":"crossref","first-page":"085424","DOI":"10.1103\/PhysRevB.93.085424","volume":"93","author":"Zeraati","year":"2016","journal-title":"Phys. Rev. B"},{"key":"D2CP04002F\/cit69\/1","doi-asserted-by":"crossref","first-page":"103313","DOI":"10.1016\/j.mtcomm.2022.103313","volume":"31","author":"Sheng","year":"2022","journal-title":"Mater. Today Commun."},{"key":"D2CP04002F\/cit70\/1","doi-asserted-by":"crossref","first-page":"165101","DOI":"10.1063\/1.5051067","volume":"124","author":"Ding","year":"2018","journal-title":"J. Appl. Phys."},{"key":"D2CP04002F\/cit71\/1","doi-asserted-by":"crossref","first-page":"033406","DOI":"10.1103\/PhysRevB.80.033406","volume":"80","author":"Kong","year":"2009","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP04002F\/cit72\/1","doi-asserted-by":"crossref","first-page":"155421","DOI":"10.1103\/PhysRevB.84.155421","volume":"84","author":"Lindsay","year":"2011","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP04002F\/cit73\/1","doi-asserted-by":"crossref","first-page":"085409","DOI":"10.1103\/PhysRevB.84.085409","volume":"84","author":"Sevik","year":"2011","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP04002F\/cit74\/1","doi-asserted-by":"crossref","first-page":"201909","DOI":"10.1063\/1.4878395","volume":"104","author":"Liu","year":"2014","journal-title":"Appl. Phys. Lett."},{"key":"D2CP04002F\/cit75\/1","doi-asserted-by":"crossref","first-page":"12997","DOI":"10.1039\/C8NR01649F","volume":"10","author":"Gao","year":"2018","journal-title":"Nanoscale"},{"key":"D2CP04002F\/cit76\/1","doi-asserted-by":"crossref","first-page":"235137","DOI":"10.1103\/PhysRevB.96.235137","volume":"96","author":"Hou","year":"2017","journal-title":"Phys. Rev. B"},{"key":"D2CP04002F\/cit77\/1","doi-asserted-by":"crossref","first-page":"025709","DOI":"10.1088\/1361-6528\/abbb4c","volume":"32","author":"Yang","year":"2020","journal-title":"Nanotechnology"},{"key":"D2CP04002F\/cit78\/1","doi-asserted-by":"crossref","first-page":"106621","DOI":"10.1016\/j.spmi.2020.106621","volume":"145","author":"Ali","year":"2020","journal-title":"Superlattices Microstruct."},{"key":"D2CP04002F\/cit79\/1","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1016\/j.commatsci.2015.02.035","volume":"102","author":"Wang","year":"2015","journal-title":"Comput. Mater. Sci."},{"key":"D2CP04002F\/cit80\/1","doi-asserted-by":"crossref","first-page":"696","DOI":"10.1121\/1.385566","volume":"69","author":"O\u2019Donnell","year":"1981","journal-title":"J. Acoust. Soc. Am."},{"key":"D2CP04002F\/cit81\/1","doi-asserted-by":"crossref","first-page":"27795","DOI":"10.1021\/acs.jpcc.8b06575","volume":"122","author":"Hu","year":"2018","journal-title":"J. Phys. Chem. C"}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2023\/CP\/D2CP04002F","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T21:19:27Z","timestamp":1782940767000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/25\/6\/4690-4700\/762344"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023]]},"references-count":81,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2023,2,8]]}},"URL":"https:\/\/doi.org\/10.1039\/d2cp04002f","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023]]}}}