{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T05:32:06Z","timestamp":1782883926524,"version":"3.54.5"},"reference-count":42,"publisher":"Royal Society of Chemistry (RSC)","issue":"5","license":[{"start":{"date-parts":[[2026,12,23]],"date-time":"2026-12-23T00:00:00Z","timestamp":1797984000000},"content-version":"am","delay-in-days":356,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100007128","name":"Natural Science Foundation of Shaanxi Province","doi-asserted-by":"publisher","award":["2023-JC-YB-065"],"award-info":[{"award-number":["2023-JC-YB-065"]}],"id":[{"id":"10.13039\/501100007128","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007128","name":"Natural Science Foundation of Shaanxi Province","doi-asserted-by":"publisher","award":["2024JC-YBMS-021"],"award-info":[{"award-number":["2024JC-YBMS-021"]}],"id":[{"id":"10.13039\/501100007128","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007128","name":"Natural Science Foundation of Shaanxi Province","doi-asserted-by":"publisher","award":["2024JC-YBMS-788"],"award-info":[{"award-number":["2024JC-YBMS-788"]}],"id":[{"id":"10.13039\/501100007128","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007128","name":"Natural Science Foundation of Shaanxi Province","doi-asserted-by":"publisher","award":["2025JC-YBMS-037"],"award-info":[{"award-number":["2025JC-YBMS-037"]}],"id":[{"id":"10.13039\/501100007128","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2023YFB3608901"],"award-info":[{"award-number":["2023YFB3608901"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>\n                    This study focuses on designing novel lead-free materials, constructing the Ca\n                    <jats:sub>2<\/jats:sub>\n                    In\n                    <jats:sub>4<\/jats:sub>\n                    X\n                    <jats:sub>8<\/jats:sub>\n                    \u00a0(X = S, Se, Te) compound system by introducing inorganic cations (Ca\n                    <jats:sup>2+<\/jats:sup>\n                    ) in synergy with low-toxicity chalcogen elements (S, Se, and Te).\n                  <\/jats:p>","DOI":"10.1039\/d5cp03182f","type":"journal-article","created":{"date-parts":[[2025,12,23]],"date-time":"2025-12-23T02:40:45Z","timestamp":1766457645000},"page":"3521-3530","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["A theoretical study of the photoelectric properties of lead-free Ca\n                    <sub>2<\/sub>\n                    In\n                    <sub>4<\/sub>\n                    X\n                    <sub>8<\/sub>\n                    (X = S, Se, Te)\n                    <i>via<\/i>\n                    density functional theory"],"prefix":"10.1039","volume":"28","author":[{"given":"Wenbin","family":"Zhu","sequence":"first","affiliation":[{"name":"School of Science, Xi\u2019an University of Architecture and Technology, Xi\u2019an, 710055, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Beitong","family":"Cheng","sequence":"additional","affiliation":[{"name":"Southwest Institute of Technical Physics, Chengdu 610041, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2871-4510","authenticated-orcid":false,"given":"Changcheng","family":"Chen","sequence":"additional","affiliation":[{"name":"School of Science, Xi\u2019an University of Architecture and Technology, Xi\u2019an, 710055, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yue","family":"Cheng","sequence":"additional","affiliation":[{"name":"School of Science, Xi\u2019an University of Architecture and Technology, Xi\u2019an, 710055, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shuaikang","family":"Zhang","sequence":"additional","affiliation":[{"name":"School of Science, Xi\u2019an University of Architecture and Technology, Xi\u2019an, 710055, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kunzhuo","family":"Zhao","sequence":"additional","affiliation":[{"name":"School of Science, Xi\u2019an University of Architecture and Technology, Xi\u2019an, 710055, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhengjun","family":"Wang","sequence":"additional","affiliation":[{"name":"School of Science, Xi\u2019an University of Architecture and Technology, Xi\u2019an, 710055, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinhui","family":"Zhang","sequence":"additional","affiliation":[{"name":"School of Science, Xi\u2019an University of Architecture and Technology, Xi\u2019an, 710055, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chunling","family":"Zhang","sequence":"additional","affiliation":[{"name":"School of Science, Xi\u2019an University of Architecture and Technology, Xi\u2019an, 710055, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiangzhou","family":"Xie","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing, 100876, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-1627-2668","authenticated-orcid":false,"given":"Yaxin","family":"Xu","sequence":"additional","affiliation":[{"name":"School of Mechanical and Manufacturing Engineering, University of New South Wales, Sydney, New South Wales 2052, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8127-0023","authenticated-orcid":false,"given":"Xiaoning","family":"Guan","sequence":"additional","affiliation":[{"name":"MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, Key Laboratory for Advanced Materials and Mesoscopic Physics of Shaanxi Province, School of Physics, Xi\u2019an Jiaotong University, Xi\u2019an 710049, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gang","family":"Liu","sequence":"additional","affiliation":[{"name":"MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, Key Laboratory for Advanced Materials and Mesoscopic Physics of Shaanxi Province, School of Physics, Xi\u2019an Jiaotong University, Xi\u2019an 710049, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7172-3773","authenticated-orcid":false,"given":"Pengfei","family":"Lu","sequence":"additional","affiliation":[{"name":"MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, Key Laboratory for Advanced Materials and Mesoscopic Physics of Shaanxi Province, School of Physics, Xi\u2019an Jiaotong University, Xi\u2019an 710049, China"},{"name":"Ningbo Weiyuan Optoelectronic Research Institute Co., Ltd, Ningbo 315200, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D5CP03182F\/cit1\/1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijheatmasstransfer.2020.120318","volume":"161","author":"Xu","year":"2020","journal-title":"Int. J. Heat Mass Transfer"},{"key":"D5CP03182F\/cit2\/1","doi-asserted-by":"publisher","first-page":"20","DOI":"10.1016\/j.omx.2023.100258","author":"Shearer","year":"2023","journal-title":"Opt. Mater.: X"},{"issue":"44","key":"D5CP03182F\/cit3\/1","doi-asserted-by":"crossref","first-page":"21666","DOI":"10.1039\/C8TA06126B","volume":"6","author":"Ravi","year":"2018","journal-title":"J. Mater. Chem. A"},{"issue":"34","key":"D5CP03182F\/cit4\/1","doi-asserted-by":"crossref","first-page":"44988","DOI":"10.1021\/acsami.4c10378","volume":"16","author":"Xiang","year":"2024","journal-title":"ACS Appl. Mater. Interfaces"},{"issue":"7","key":"D5CP03182F\/cit5\/1","doi-asserted-by":"crossref","first-page":"2138","DOI":"10.1021\/jacs.5b13294","volume":"138","author":"Slavney","year":"2016","journal-title":"J. Am. Chem. Soc."},{"issue":"4","key":"D5CP03182F\/cit6\/1","doi-asserted-by":"crossref","first-page":"837","DOI":"10.1021\/acsenergylett.7b00035","volume":"2","author":"Chakraborty","year":"2017","journal-title":"ACS Energy Lett."},{"key":"D5CP03182F\/cit7\/1","doi-asserted-by":"crossref","first-page":"1254","DOI":"10.1021\/acs.jpclett.6b00376","volume":"7","author":"Volonakis","year":"2016","journal-title":"J. Phys. Chem. Lett."},{"issue":"7","key":"D5CP03182F\/cit8\/1","doi-asserted-by":"crossref","first-page":"1433","DOI":"10.1021\/ic50077a013","volume":"8","author":"Morss","year":"1969","journal-title":"Inorg. Chem."},{"issue":"7","key":"D5CP03182F\/cit9\/1","doi-asserted-by":"crossref","first-page":"1771","DOI":"10.1021\/ic50089a034","volume":"9","author":"Morss","year":"1970","journal-title":"Inorg. Chem."},{"issue":"37","key":"D5CP03182F\/cit10\/1","doi-asserted-by":"crossref","first-page":"19972","DOI":"10.1039\/C7TA06816F","volume":"5","author":"Greul","year":"2017","journal-title":"J. Mater. Chem. A"},{"issue":"14","key":"D5CP03182F\/cit11\/1","doi-asserted-by":"crossref","first-page":"1696","DOI":"10.1002\/cphc.201800346","volume":"19","author":"Gao","year":"2018","journal-title":"ChemPhysChem"},{"key":"D5CP03182F\/cit12\/1","doi-asserted-by":"publisher","first-page":"112301","DOI":"10.1016\/j.jpcs.2024.112301","volume":"192","author":"Njema","year":"2025","journal-title":"J. Phys. Chem. Solids"},{"issue":"7","key":"D5CP03182F\/cit13\/1","doi-asserted-by":"publisher","first-page":"681","DOI":"10.1039\/D5MA00681C","volume":"6","author":"Fatima","year":"2025","journal-title":"Mater. Adv."},{"issue":"2","key":"D5CP03182F\/cit14\/1","doi-asserted-by":"publisher","first-page":"110","DOI":"10.1039\/D5MA00010F","volume":"6","author":"Miah","year":"2025","journal-title":"Mater. Adv."},{"key":"D5CP03182F\/cit15\/1","doi-asserted-by":"publisher","first-page":"113548","DOI":"10.1016\/j.solmat.2024.113548","volume":"274","author":"Adhikari","year":"2025","journal-title":"Sol. Energy Mater. Sol. Cells"},{"issue":"11","key":"D5CP03182F\/cit16\/1","doi-asserted-by":"publisher","first-page":"2141","DOI":"10.1016\/j.materresbull.2011.06.002","volume":"46","author":"Fouad","year":"2011","journal-title":"Mater. Res. Bull."},{"issue":"7","key":"D5CP03182F\/cit17\/1","doi-asserted-by":"publisher","first-page":"10465","DOI":"10.1016\/j.ceramint.2023.12.359","volume":"50","author":"Tian","year":"2024","journal-title":"Ceram. Int."},{"issue":"10","key":"D5CP03182F\/cit18\/1","doi-asserted-by":"publisher","first-page":"5012","DOI":"10.1021\/acsenergylett.4c02032","volume":"9","author":"Pavel","year":"2024","journal-title":"ACS Energy Lett."},{"issue":"15","key":"D5CP03182F\/cit19\/1","doi-asserted-by":"publisher","first-page":"10335","DOI":"10.1039\/d3cp00594a","volume":"25","author":"Shi","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP03182F\/cit20\/1","volume-title":"In 2021 4th International Conference on Advanced Communication Technologies and Networking (CommNet)","author":"El Mrabet","year":"2021","unstructured":"M. A.El Mrabet ;  K.El Makkaoui  and  A.Faize ,  Supervised Machine Learning: A Survey .  In 2021 4th International Conference on Advanced Communication Technologies and Networking (CommNet) ,  2021"},{"issue":"18","key":"D5CP03182F\/cit21\/1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.72.184103","volume":"72","author":"Blanco","year":"2005","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"11","key":"D5CP03182F\/cit22\/1","doi-asserted-by":"publisher","first-page":"4957","DOI":"10.1021\/cg900732h","volume":"9","author":"Nicolay","year":"2009","journal-title":"Cryst. Growth Des."},{"issue":"10","key":"D5CP03182F\/cit23\/1","doi-asserted-by":"publisher","first-page":"2646","DOI":"10.1007\/s12274-019-2502-9","volume":"12","author":"Cun","year":"2019","journal-title":"Nano Res."},{"issue":"1","key":"D5CP03182F\/cit24\/1","doi-asserted-by":"publisher","DOI":"10.1364\/ome.9.000330","volume":"9","author":"Krayer","year":"2018","journal-title":"Opt. Mater. Express"},{"issue":"1","key":"D5CP03182F\/cit25\/1","doi-asserted-by":"publisher","first-page":"175","DOI":"10.1103\/RevModPhys.79.175","volume":"79","author":"Devereaux","year":"2007","journal-title":"Rev. Mod. Phys."},{"key":"D5CP03182F\/cit26\/1","doi-asserted-by":"publisher","first-page":"e2501209","DOI":"10.1002\/adma.202501209","author":"Guan","year":"2025","journal-title":"Adv. Mater."},{"key":"D5CP03182F\/cit27\/1","doi-asserted-by":"publisher","first-page":"15200","DOI":"10.1038\/ncomms15200","volume":"8","author":"Schott","year":"2017","journal-title":"Nat. Commun."},{"issue":"6","key":"D5CP03182F\/cit28\/1","doi-asserted-by":"publisher","first-page":"065401","DOI":"10.1088\/0953-8984\/22\/6\/065401","volume":"22","author":"Goel","year":"2010","journal-title":"J. Phys.: Condens. Matter"},{"key":"D5CP03182F\/cit29\/1","doi-asserted-by":"publisher","first-page":"448","DOI":"10.1016\/j.renene.2013.01.003","volume":"55","author":"Ye","year":"2013","journal-title":"Renewable Energy"},{"issue":"6","key":"D5CP03182F\/cit30\/1","doi-asserted-by":"publisher","first-page":"2535","DOI":"10.1063\/1.1709944","volume":"38","author":"Chung","year":"1967","journal-title":"J. Appl. Phys."},{"issue":"3","key":"D5CP03182F\/cit31\/1","doi-asserted-by":"publisher","first-page":"1162","DOI":"10.1063\/1.431443","volume":"63","author":"Abrahams","year":"1975","journal-title":"J. Chem. Phys."},{"issue":"D8","key":"D5CP03182F\/cit32\/1","doi-asserted-by":"publisher","DOI":"10.1029\/2003jd004471","volume":"109","author":"Minnis","year":"2004","journal-title":"J. Geophys. Res.: Atmos."},{"issue":"27","key":"D5CP03182F\/cit33\/1","doi-asserted-by":"publisher","DOI":"10.1088\/0953-8984\/28\/27\/275201","volume":"28","author":"Gaillac","year":"2016","journal-title":"J. Phys.: Condens. Matter"},{"issue":"11","key":"D5CP03182F\/cit34\/1","doi-asserted-by":"crossref","first-page":"2419","DOI":"10.1039\/C8SE00154E","volume":"2","author":"Zhang","year":"2018","journal-title":"Sustainable Energy Fuels"},{"issue":"23","key":"D5CP03182F\/cit35\/1","first-page":"l900567","volume":"216","author":"Li","year":"2019","journal-title":"Phys. Status Solidi A"},{"issue":"7","key":"D5CP03182F\/cit36\/1","doi-asserted-by":"crossref","first-page":"2630","DOI":"10.1021\/jacs.6b09645","volume":"139","author":"Zhao","year":"2017","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP03182F\/cit37\/1","first-page":"l02842","volume":"29","author":"Hu","year":"2021","journal-title":"Mater. Today Commun."},{"issue":"14","key":"D5CP03182F\/cit38\/1","doi-asserted-by":"crossref","first-page":"5755","DOI":"10.1021\/acsaem.4c00822","volume":"7","author":"Yang","year":"2024","journal-title":"ACS Appl. Energy Mater."},{"issue":"12","key":"D5CP03182F\/cit39\/1","doi-asserted-by":"crossref","first-page":"2369","DOI":"10.1007\/s11426-022-1426-x","volume":"65","author":"Luo","year":"2022","journal-title":"Sci. China Chem."},{"key":"D5CP03182F\/cit40\/1","doi-asserted-by":"crossref","first-page":"e202400945","DOI":"10.1002\/cssc.202400945","author":"Kim","year":"2024","journal-title":"ChemSusChem"},{"issue":"14","key":"D5CP03182F\/cit41\/1","doi-asserted-by":"crossref","first-page":"6080","DOI":"10.1021\/acs.jpcc.3c08481","volume":"128","author":"Shang","year":"2024","journal-title":"J. Phys. Chem. C"},{"issue":"9","key":"D5CP03182F\/cit42\/1","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1007\/s00894-024-06107-8","volume":"30","author":"Ahmed Ahmed","year":"2024","journal-title":"J. Mol. Model."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2026\/CP\/D5CP03182F","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T04:21:02Z","timestamp":1782879662000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/28\/5\/3521-3530\/1248656"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":42,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2026,2,4]]}},"URL":"https:\/\/doi.org\/10.1039\/d5cp03182f","relation":{"has-review":[{"id-type":"doi","id":"10.1039\/D5CP03182F\/v2\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP03182F\/v1\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP03182F\/v3\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP03182F\/v1\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP03182F\/v2\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP03182F\/v1\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP03182F\/v3\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP03182F\/v3\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP03182F\/v2\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D5CP03182F\/v2\/decision1","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]]}}}