{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T06:16:53Z","timestamp":1782886613078,"version":"3.54.5"},"reference-count":85,"publisher":"Royal Society of Chemistry (RSC)","issue":"18","license":[{"start":{"date-parts":[[2026,4,8]],"date-time":"2026-04-08T00:00:00Z","timestamp":1775606400000},"content-version":"am","delay-in-days":462,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100007446","name":"King Khalid University","doi-asserted-by":"publisher","award":["RGP2\/172\/45"],"award-info":[{"award-number":["RGP2\/172\/45"]}],"id":[{"id":"10.13039\/501100007446","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 investigates the effects of M-anion modifications on lead-free halide inorganic compounds, specifically Ba\n                    <jats:sub>3<\/jats:sub>\n                    MCl\n                    <jats:sub>3<\/jats:sub>\n                    (M = N, P, As, Sb), using DFT and SCAPS-1D software.\n                  <\/jats:p>","DOI":"10.1039\/d4cp04812a","type":"journal-article","created":{"date-parts":[[2025,4,8]],"date-time":"2025-04-08T02:06:35Z","timestamp":1744077995000},"page":"9429-9447","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Exploring the influence of M-anion modifications on the physical properties of lead-free novel halide inorganic compounds Ba\n                    <sub>3<\/sub>\n                    MCl\n                    <sub>3<\/sub>\n                    (M = N, P, As, Sb)"],"prefix":"10.1039","volume":"27","author":[{"given":"Md. Al Ijajul","family":"Islam","sequence":"first","affiliation":[{"name":"Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering, Begum Rokeya University, Rangpur 5400, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0090-2384","authenticated-orcid":false,"given":"Md. Ferdous","family":"Rahman","sequence":"additional","affiliation":[{"name":"Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering, Begum Rokeya University, Rangpur 5400, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tanvir Al","family":"Galib","sequence":"additional","affiliation":[{"name":"Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering, Begum Rokeya University, Rangpur 5400, Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1850-6355","authenticated-orcid":false,"given":"Mustafa K. A.","family":"Mohammed","sequence":"additional","affiliation":[{"name":"College of Remote Sensing and Geophysics, Al-Karkh University of Science, Al-Karkh Side, Haifa St. Hamada Palace, Baghdad 10011, Iraq"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4805-9613","authenticated-orcid":false,"given":"Sagar","family":"Bhattarai","sequence":"additional","affiliation":[{"name":"Technology Innovation & Development Foundation, Indian Institute of Technology Guwahati, Guwahati, Assam, 781039, India"},{"name":"Centre for Research Impact & Outcome, Chitkara University Institute of Engineering and Technology, Chitkara University, Rajpura, 140401, Punjab, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmad","family":"Irfan","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D4CP04812A\/cit1\/1","doi-asserted-by":"crossref","first-page":"4262","DOI":"10.1039\/D3CP04663J","volume":"26","author":"Marimuthu","year":"2024","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D4CP04812A\/cit2\/1","doi-asserted-by":"crossref","first-page":"16469","DOI":"10.1039\/D1CP02067F","volume":"23","author":"Xing","year":"2021","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D4CP04812A\/cit3\/1","doi-asserted-by":"crossref","first-page":"20619","DOI":"10.1039\/C7CP02091K","volume":"19","author":"Paduani","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D4CP04812A\/cit4\/1","doi-asserted-by":"crossref","first-page":"13755","DOI":"10.1039\/D3CP01522J","volume":"25","author":"Liu","year":"2023","journal-title":"Phys. Chem. Chem. 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