{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,28]],"date-time":"2026-07-28T02:33:48Z","timestamp":1785206028984,"version":"3.55.0"},"reference-count":104,"publisher":"Royal Society of Chemistry (RSC)","issue":"12","license":[{"start":{"date-parts":[[2027,3,10]],"date-time":"2027-03-10T00:00:00Z","timestamp":1804636800000},"content-version":"am","delay-in-days":433,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100001843","name":"Science and Engineering Research Board","doi-asserted-by":"publisher","award":["CRG\/2022\/001770"],"award-info":[{"award-number":["CRG\/2022\/001770"]}],"id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>DFT studies unravel the effect of position and donor strength on the TADF properties of 1,8-napthalimide derivatives. Though 3,6-disubstitution promotes radiative and ISC processes, donor identity plays a decisive role and facilitates RISC and TADF.<\/jats:p>","DOI":"10.1039\/d6cp00011h","type":"journal-article","created":{"date-parts":[[2026,3,10]],"date-time":"2026-03-10T11:46:06Z","timestamp":1773143166000},"page":"7629-7644","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Unravelling the promising di-substitution pattern boosting radiative and reverse intersystem crossing rates in 1,8-naphthalimide D\u2013A\u2013D emitters: a computational study"],"prefix":"10.1039","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2424-5953","authenticated-orcid":false,"given":"K. R.","family":"Justin Thomas","sequence":"first","affiliation":[{"name":"Organic Material Laboratory, Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247667, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chetan","family":"Saini","sequence":"additional","affiliation":[{"name":"Organic Material Laboratory, Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247667, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"family":"Panaha","sequence":"additional","affiliation":[{"name":"Organic Material Laboratory, Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee 247667, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6CP00011H\/cit1\/1","doi-asserted-by":"publisher","first-page":"13736","DOI":"10.1021\/acs.chemrev.3c00755","volume":"124","author":"Dos Santos","year":"2024","journal-title":"Chem. Rev."},{"key":"D6CP00011H\/cit2\/1","doi-asserted-by":"publisher","first-page":"769","DOI":"10.1039\/D3QM01125A","volume":"8","author":"Prabhu Cp","year":"2024","journal-title":"Mater. Chem. Front."},{"key":"D6CP00011H\/cit3\/1","doi-asserted-by":"publisher","first-page":"1946","DOI":"10.1021\/acs.chemmater.6b05324","volume":"29","author":"Im","year":"2017","journal-title":"Chem. Mater."},{"key":"D6CP00011H\/cit4\/1","doi-asserted-by":"publisher","first-page":"060101","DOI":"10.7567\/JJAP.53.060101","volume":"53","author":"Adachi","year":"2014","journal-title":"Jpn. J. Appl. Phys."},{"key":"D6CP00011H\/cit5\/1","doi-asserted-by":"publisher","first-page":"234","DOI":"10.1038\/nature11687","volume":"492","author":"Uoyama","year":"2012","journal-title":"Nature"},{"key":"D6CP00011H\/cit6\/1","doi-asserted-by":"publisher","first-page":"14422","DOI":"10.1103\/PhysRevB.60.14422","volume":"60","author":"Baldo","year":"1999","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D6CP00011H\/cit7\/1","doi-asserted-by":"publisher","first-page":"16007","DOI":"10.1002\/chem.201904651","volume":"25","author":"Kuila","year":"2019","journal-title":"Chem. \u2013 Eur. J."},{"key":"D6CP00011H\/cit8\/1","doi-asserted-by":"publisher","first-page":"187","DOI":"10.1002\/wcms.83","volume":"2","author":"Marian","year":"2012","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"D6CP00011H\/cit9\/1","doi-asserted-by":"publisher","first-page":"1256","DOI":"10.31635\/ccschem.020.202000281","volume":"2","author":"Chen","year":"2020","journal-title":"CCS Chem."},{"key":"D6CP00011H\/cit10\/1","doi-asserted-by":"publisher","first-page":"2200850","DOI":"10.1002\/adts.202200850","volume":"6","author":"Jacob","year":"2023","journal-title":"Adv. Theory Simul."},{"key":"D6CP00011H\/cit11\/1","doi-asserted-by":"publisher","first-page":"915","DOI":"10.1039\/c6cs00368k","volume":"46","author":"Yang","year":"2017","journal-title":"Chem. Soc. Rev."},{"key":"D6CP00011H\/cit12\/1","doi-asserted-by":"publisher","first-page":"1327","DOI":"10.1039\/D4CP02636E","volume":"27","author":"Saini","year":"2025","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP00011H\/cit13\/1","doi-asserted-by":"publisher","first-page":"9611","DOI":"10.1039\/D5TC00602C","volume":"13","author":"Saini","year":"2025","journal-title":"J. Mater. Chem. C"},{"key":"D6CP00011H\/cit14\/1","doi-asserted-by":"publisher","first-page":"7988","DOI":"10.1021\/acs.chemmater.8b03670","volume":"30","author":"Shi","year":"2018","journal-title":"Chem. Mater."},{"key":"D6CP00011H\/cit15\/1","doi-asserted-by":"publisher","first-page":"1705745","DOI":"10.1002\/adma.201705745","volume":"30","author":"Shi","year":"2018","journal-title":"Adv. Mater."},{"key":"D6CP00011H\/cit16\/1","doi-asserted-by":"publisher","first-page":"6965","DOI":"10.1002\/adma.201305718","volume":"26","author":"Liu","year":"2014","journal-title":"Adv. Mater."},{"key":"D6CP00011H\/cit17\/1","doi-asserted-by":"publisher","first-page":"907","DOI":"10.1007\/s11426-015-5409-7","volume":"58","author":"Yu","year":"2015","journal-title":"Sci. China: Chem."},{"key":"D6CP00011H\/cit18\/1","doi-asserted-by":"publisher","first-page":"11156","DOI":"10.1021\/jacs.5b06414","volume":"137","author":"Sun","year":"2015","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00011H\/cit19\/1","doi-asserted-by":"publisher","first-page":"5791","DOI":"10.1002\/adma.201300897","volume":"25","author":"Zhang","year":"2013","journal-title":"Adv. Mater."},{"key":"D6CP00011H\/cit20\/1","doi-asserted-by":"publisher","first-page":"1704961","DOI":"10.1002\/adma.201704961","volume":"30","author":"Zeng","year":"2018","journal-title":"Adv. Mater."},{"key":"D6CP00011H\/cit21\/1","doi-asserted-by":"publisher","first-page":"105","DOI":"10.1007\/s10853-021-06602-w","volume":"57","author":"Kagatikar","year":"2022","journal-title":"J. Mater. Sci."},{"key":"D6CP00011H\/cit22\/1","doi-asserted-by":"publisher","first-page":"6900","DOI":"10.1039\/C7CS00841D","volume":"47","author":"Yan","year":"2018","journal-title":"Chem. Soc. Rev."},{"key":"D6CP00011H\/cit23\/1","doi-asserted-by":"publisher","first-page":"831","DOI":"10.1002\/tcr.202000013","volume":"20","author":"Eng","year":"2020","journal-title":"Chem. Record"},{"key":"D6CP00011H\/cit24\/1","doi-asserted-by":"publisher","first-page":"1554","DOI":"10.1039\/D0QM00084A","volume":"4","author":"Qin","year":"2020","journal-title":"Mater. Chem. Front."},{"key":"D6CP00011H\/cit25\/1","doi-asserted-by":"publisher","first-page":"473","DOI":"10.1021\/acs.jpca.1c08320","volume":"126","author":"Bas","year":"2022","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00011H\/cit26\/1","doi-asserted-by":"publisher","first-page":"747","DOI":"10.1038\/s41586-024-07149-x","volume":"627","author":"Diesing","year":"2024","journal-title":"Nature"},{"key":"D6CP00011H\/cit27\/1","doi-asserted-by":"publisher","first-page":"5597","DOI":"10.1039\/D3CP05632E","volume":"26","author":"Wang","year":"2024","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP00011H\/cit28\/1","doi-asserted-by":"publisher","first-page":"672","DOI":"10.3762\/bjoc.14.55","volume":"14","author":"Gan","year":"2018","journal-title":"Beilstein J. Org. Chem."},{"key":"D6CP00011H\/cit29\/1","doi-asserted-by":"publisher","first-page":"2401571","DOI":"10.1002\/adts.202401571","volume":"8","author":"Saini","year":"2025","journal-title":"Adv. Theory Simul."},{"key":"D6CP00011H\/cit30\/1","doi-asserted-by":"publisher","first-page":"9087","DOI":"10.1039\/C9TC01973A","volume":"7","author":"Chen","year":"2019","journal-title":"J. Mater. Chem. C"},{"key":"D6CP00011H\/cit31\/1","doi-asserted-by":"publisher","first-page":"1901404","DOI":"10.1002\/adma.201901404","volume":"31","author":"Zeng","year":"2019","journal-title":"Adv. Mater."},{"key":"D6CP00011H\/cit32\/1","doi-asserted-by":"publisher","first-page":"30171","DOI":"10.1021\/acs.jpcc.9b09335","volume":"123","author":"Tang","year":"2019","journal-title":"J. Phys. Chem. C"},{"key":"D6CP00011H\/cit33\/1","doi-asserted-by":"publisher","first-page":"17434","DOI":"10.1039\/D4RA02981J","volume":"14","author":"Chen","year":"2024","journal-title":"RSC Adv."},{"key":"D6CP00011H\/cit34\/1","doi-asserted-by":"publisher","first-page":"3653","DOI":"10.1021\/acs.jpca.2c01046","volume":"126","author":"Tang","year":"2022","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00011H\/cit35\/1","doi-asserted-by":"publisher","first-page":"212","DOI":"10.1016\/j.dyepig.2017.05.036","volume":"144","author":"Yun","year":"2017","journal-title":"Dyes Pigm."},{"key":"D6CP00011H\/cit36\/1","doi-asserted-by":"publisher","first-page":"B864","DOI":"10.1103\/PhysRev.136.B864","volume":"136","author":"Hohenberg","year":"1964","journal-title":"Phys. Rev."},{"key":"D6CP00011H\/cit37\/1","doi-asserted-by":"publisher","first-page":"A1133","DOI":"10.1103\/PhysRev.140.A1133","volume":"140","author":"Kohn","year":"1965","journal-title":"Phys. Rev."},{"key":"D6CP00011H\/cit38\/1","doi-asserted-by":"publisher","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit39\/1","doi-asserted-by":"publisher","first-page":"11623","DOI":"10.1021\/j100096a001","volume":"98","author":"Stephens","year":"1994","journal-title":"J. Phys. Chem."},{"key":"D6CP00011H\/cit40\/1","doi-asserted-by":"publisher","first-page":"3297","DOI":"10.1039\/B508541A","volume":"7","author":"Weigend","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP00011H\/cit41\/1","doi-asserted-by":"publisher","first-page":"154104","DOI":"10.1063\/1.3382344","volume":"132","author":"Grimme","year":"2010","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit42\/1","doi-asserted-by":"publisher","first-page":"6158","DOI":"10.1063\/1.478522","volume":"110","author":"Adamo","year":"1999","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit43\/1","doi-asserted-by":"publisher","first-page":"5029","DOI":"10.1063\/1.478401","volume":"110","author":"Ernzerhof","year":"1999","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit44\/1","doi-asserted-by":"publisher","first-page":"652","DOI":"10.1016\/0009-2614(95)00838-U","volume":"242","author":"Eichkorn","year":"1995","journal-title":"Chem. Phys. Lett."},{"key":"D6CP00011H\/cit45\/1","doi-asserted-by":"publisher","first-page":"144105","DOI":"10.1063\/1.3646921","volume":"135","author":"Izs\u00e1k","year":"2011","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit46\/1","doi-asserted-by":"publisher","first-page":"331","DOI":"10.1007\/s002140050269","volume":"97","author":"Weigend","year":"1997","journal-title":"Theor. Chem. Acc."},{"key":"D6CP00011H\/cit47\/1","doi-asserted-by":"publisher","first-page":"1057","DOI":"10.1039\/B515623H","volume":"8","author":"Weigend","year":"2006","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP00011H\/cit48\/1","doi-asserted-by":"publisher","first-page":"587","DOI":"10.1007\/s00214-007-0250-5","volume":"117","author":"Hellweg","year":"2007","journal-title":"Theor. Chem. Acc."},{"key":"D6CP00011H\/cit49\/1","doi-asserted-by":"publisher","first-page":"L224108","DOI":"10.1063\/5.0004608","volume":"152","author":"Neese","year":"2020","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit50\/1","doi-asserted-by":"publisher","first-page":"997","DOI":"10.1103\/PhysRevLett.52.997","volume":"52","author":"Runge","year":"1984","journal-title":"Phys. Rev. Lett."},{"key":"D6CP00011H\/cit51\/1","doi-asserted-by":"publisher","first-page":"255","DOI":"10.1016\/S0065-3276(08)60600-0","volume":"21","author":"Gross","year":"1990","journal-title":"Adv. Quantum Chem."},{"key":"D6CP00011H\/cit52\/1","doi-asserted-by":"publisher","first-page":"291","DOI":"10.1016\/S0009-2614(99)01149-5","volume":"314","author":"Hirata","year":"1999","journal-title":"Chem. Phys. Lett."},{"key":"D6CP00011H\/cit53\/1","doi-asserted-by":"publisher","first-page":"215","DOI":"10.1007\/S00214-007-0310-X","volume":"120","author":"Zhao","year":"2008","journal-title":"Theor. Chem. Acc."},{"key":"D6CP00011H\/cit54\/1","doi-asserted-by":"publisher","first-page":"580","DOI":"10.1002\/jcc.22885","volume":"33","author":"Lu","year":"2012","journal-title":"J. Comput. Chem."},{"key":"D6CP00011H\/cit55\/1","doi-asserted-by":"publisher","first-page":"244117","DOI":"10.1063\/5.0013521","volume":"152","author":"Heller","year":"2020","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit56\/1","doi-asserted-by":"publisher","first-page":"9103","DOI":"10.1063\/1.1412875","volume":"115","author":"Reimers","year":"2001","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit57\/1","doi-asserted-by":"publisher","first-page":"5968","DOI":"10.1039\/D3TC00316G","volume":"11","author":"Tsuji","year":"2023","journal-title":"J. Mater. Chem. C"},{"key":"D6CP00011H\/cit58\/1","doi-asserted-by":"publisher","first-page":"403","DOI":"10.1080\/00268970010018431","volume":"99","author":"Handy","year":"2001","journal-title":"Mol. Phys."},{"key":"D6CP00011H\/cit59\/1","doi-asserted-by":"publisher","first-page":"12129","DOI":"10.1063\/1.1626543","volume":"119","author":"Staroverov","year":"2003","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit60\/1","doi-asserted-by":"publisher","first-page":"8822","DOI":"10.1103\/PhysRevB.33.8822","volume":"33","author":"Perdew","year":"1986","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D6CP00011H\/cit61\/1","doi-asserted-by":"publisher","first-page":"51","DOI":"10.1016\/j.cplett.2004.06.011","volume":"393","author":"Yanai","year":"2004","journal-title":"Chem. Phys. Lett."},{"key":"D6CP00011H\/cit62\/1","doi-asserted-by":"publisher","first-page":"8425","DOI":"10.1063\/1.1688752","volume":"120","author":"Tawada","year":"2004","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit63\/1","doi-asserted-by":"publisher","first-page":"6304","DOI":"10.1021\/jp802058k","volume":"112","author":"Lange","year":"2008","journal-title":"J. Phys. Chem. B"},{"key":"D6CP00011H\/cit64\/1","doi-asserted-by":"publisher","first-page":"084106","DOI":"10.1063\/1.2834918","volume":"128","author":"Chai","year":"2008","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit65\/1","doi-asserted-by":"publisher","first-page":"263","DOI":"10.1021\/ct300715s","volume":"9","author":"Lin","year":"2013","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP00011H\/cit66\/1","doi-asserted-by":"publisher","first-page":"034108","DOI":"10.1063\/1.2148954","volume":"124","author":"Grimme","year":"2006","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit67\/1","doi-asserted-by":"publisher","first-page":"4735","DOI":"10.1021\/acs.jctc.9b00013","volume":"15","author":"Casanova-P\u00e1ez","year":"2019","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP00011H\/cit68\/1","doi-asserted-by":"publisher","first-page":"031101","DOI":"10.1063\/1.4890314","volume":"141","author":"Br\u00e9mond","year":"2014","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit69\/1","doi-asserted-by":"publisher","first-page":"5165","DOI":"10.1021\/acs.jctc.1c00535","volume":"17","author":"Casanova-P\u00e1ez","year":"2021","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP00011H\/cit70\/1","doi-asserted-by":"publisher","first-page":"4723","DOI":"10.1039\/D1TC04656J","volume":"10","author":"Song","year":"2022","journal-title":"J. Mater. Chem. C"},{"key":"D6CP00011H\/cit71\/1","doi-asserted-by":"publisher","first-page":"10768","DOI":"10.1021\/acsami.8b21568","volume":"11","author":"Wu","year":"2019","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"D6CP00011H\/cit72\/1","doi-asserted-by":"publisher","first-page":"e202213463","DOI":"10.1002\/anie.202213463","volume":"61","author":"Shi","year":"2022","journal-title":"Angew. Chem., Int. Ed."},{"key":"D6CP00011H\/cit73\/1","doi-asserted-by":"publisher","first-page":"5839","DOI":"10.1039\/D0TC00279H","volume":"8","author":"Liu","year":"2020","journal-title":"J. Mater. Chem. C"},{"key":"D6CP00011H\/cit74\/1","doi-asserted-by":"publisher","first-page":"27778","DOI":"10.1021\/acs.jpcc.9b08269","volume":"123","author":"Weissenseel","year":"2019","journal-title":"J. Phys. Chem. C"},{"key":"D6CP00011H\/cit75\/1","doi-asserted-by":"publisher","first-page":"3335","DOI":"10.1021\/acs.jpclett.3c00515","volume":"14","author":"Qian","year":"2023","journal-title":"J. Phys. Chem. Lett."},{"key":"D6CP00011H\/cit76\/1","doi-asserted-by":"publisher","first-page":"033147","DOI":"10.1103\/PhysRevResearch.4.033147","volume":"4","author":"Wang","year":"2022","journal-title":"Phys. Rev. Res."},{"key":"D6CP00011H\/cit77\/1","doi-asserted-by":"publisher","first-page":"e202300274","DOI":"10.1002\/slct.202300274","volume":"8","author":"Matulaitis","year":"2023","journal-title":"ChemistrySelect"},{"key":"D6CP00011H\/cit78\/1","doi-asserted-by":"publisher","first-page":"e202304206","DOI":"10.1002\/chem.202304206","volume":"30","author":"Banerjee","year":"2024","journal-title":"Chem. \u2013 Eur. J."},{"key":"D6CP00011H\/cit79\/1","doi-asserted-by":"publisher","first-page":"21009","DOI":"10.1021\/acs.jpcc.4c03785","volume":"128","author":"Panaha","year":"2024","journal-title":"J. Phys. Chem. C"},{"key":"D6CP00011H\/cit80\/1","doi-asserted-by":"publisher","first-page":"4883","DOI":"10.1021\/jacs.1c12610","volume":"144","author":"Jin","year":"2022","journal-title":"J. Am. Chem. Soc."},{"key":"D6CP00011H\/cit81\/1","doi-asserted-by":"publisher","first-page":"3118","DOI":"10.1021\/ct400337e","volume":"9","author":"Guido","year":"2013","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP00011H\/cit82\/1","doi-asserted-by":"publisher","first-page":"6119","DOI":"10.1039\/D2TC05402G","volume":"11","author":"Li","year":"2023","journal-title":"J. Mater. Chem. C"},{"key":"D6CP00011H\/cit83\/1","doi-asserted-by":"publisher","first-page":"2834","DOI":"10.1063\/1.1733610","volume":"38","author":"El-Sayed","year":"1963","journal-title":"J. Chem. Phys."},{"key":"D6CP00011H\/cit84\/1","doi-asserted-by":"publisher","first-page":"9514","DOI":"10.1021\/jp111892y","volume":"115","author":"Baba","year":"2011","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00011H\/cit85\/1","doi-asserted-by":"publisher","first-page":"5577","DOI":"10.1039\/C8TC01139G","volume":"6","author":"Huang","year":"2018","journal-title":"J. Mater. Chem. C"},{"key":"D6CP00011H\/cit86\/1","doi-asserted-by":"publisher","first-page":"6225","DOI":"10.1038\/s41598-017-05339-4","volume":"7","author":"Chen","year":"2017","journal-title":"Sci. Rep."},{"key":"D6CP00011H\/cit87\/1","doi-asserted-by":"publisher","first-page":"112080","DOI":"10.1016\/j.chemphys.2023.112080","volume":"575","author":"Hou","year":"2023","journal-title":"Chem. Phys."},{"key":"D6CP00011H\/cit88\/1","doi-asserted-by":"publisher","first-page":"2200725","DOI":"10.1002\/adts.202200725","volume":"6","author":"Ali","year":"2023","journal-title":"Adv. Theory Simul."},{"key":"D6CP00011H\/cit89\/1","doi-asserted-by":"publisher","first-page":"18189","DOI":"10.1039\/D2TC03875G","volume":"10","author":"He","year":"2022","journal-title":"J. Mater. Chem. C"},{"key":"D6CP00011H\/cit90\/1","doi-asserted-by":"publisher","first-page":"135431","DOI":"10.1016\/j.molstruc.2023.135431","volume":"1284","author":"Ding","year":"2023","journal-title":"J. Mol. Struct."},{"key":"D6CP00011H\/cit91\/1","doi-asserted-by":"publisher","first-page":"1902087","DOI":"10.1002\/advs.201902087","volume":"7","author":"Zheng","year":"2020","journal-title":"Adv. Sci."},{"key":"D6CP00011H\/cit92\/1","doi-asserted-by":"publisher","first-page":"60269","DOI":"10.1021\/acsami.1c17707","volume":"13","author":"Song","year":"2021","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"D6CP00011H\/cit93\/1","doi-asserted-by":"publisher","first-page":"21208","DOI":"10.1021\/acs.jpcc.4c06517","volume":"128","author":"Mondal","year":"2024","journal-title":"J. Phys. Chem. C"},{"key":"D6CP00011H\/cit94\/1","doi-asserted-by":"publisher","first-page":"636","DOI":"10.1038\/s41566-020-0668-z","volume":"14","author":"Cui","year":"2020","journal-title":"Nat. Photonics"},{"key":"D6CP00011H\/cit95\/1","doi-asserted-by":"publisher","first-page":"911","DOI":"10.1002\/cjoc.202100776","volume":"40","author":"Yang","year":"2022","journal-title":"Chin. J. Chem."},{"key":"D6CP00011H\/cit96\/1","doi-asserted-by":"publisher","first-page":"2215","DOI":"10.1021\/acs.accounts.8b00174","volume":"51","author":"Chen","year":"2018","journal-title":"Acc. Chem. Res."},{"key":"D6CP00011H\/cit97\/1","doi-asserted-by":"publisher","first-page":"148314","DOI":"10.1016\/j.cej.2023.148314","volume":"480","author":"Chen","year":"2024","journal-title":"Chem. Eng. J."},{"key":"D6CP00011H\/cit98\/1","doi-asserted-by":"publisher","first-page":"2200494","DOI":"10.1002\/adts.202200494","volume":"5","author":"Wei","year":"2022","journal-title":"Adv. Theory Simul."},{"key":"D6CP00011H\/cit99\/1","doi-asserted-by":"publisher","first-page":"120087","DOI":"10.1016\/j.jlumin.2023.120087","volume":"263","author":"Wang","year":"2023","journal-title":"J. Lumin."},{"key":"D6CP00011H\/cit100\/1","doi-asserted-by":"publisher","first-page":"755","DOI":"10.1002\/cphc.201601308","volume":"18","author":"Duan","year":"2017","journal-title":"ChemPhysChem"},{"key":"D6CP00011H\/cit101\/1","doi-asserted-by":"publisher","first-page":"2712","DOI":"10.1021\/acs.jpclett.1c00094","volume":"12","author":"Pei","year":"2021","journal-title":"J. Phys. Chem. Lett."},{"key":"D6CP00011H\/cit102\/1","doi-asserted-by":"publisher","first-page":"2944","DOI":"10.1021\/acs.jpclett.1c00020","volume":"12","author":"Lin","year":"2021","journal-title":"J. Phys. Chem. Lett."},{"key":"D6CP00011H\/cit103\/1","doi-asserted-by":"publisher","first-page":"1468","DOI":"10.1021\/acs.jpca.0c09767","volume":"125","author":"Wang","year":"2021","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00011H\/cit104\/1","doi-asserted-by":"publisher","first-page":"2000037","DOI":"10.1002\/adts.202000037","volume":"3","author":"Shi","year":"2020","journal-title":"Adv. Theory Simul."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2026\/CP\/D6CP00011H","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T04:10:39Z","timestamp":1782879039000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/28\/12\/7629-7644\/1244583"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":104,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2026,3,25]]}},"URL":"https:\/\/doi.org\/10.1039\/d6cp00011h","relation":{"has-review":[{"id-type":"doi","id":"10.1039\/D6CP00011H\/v4\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00011H\/v4\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00011H\/v1\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00011H\/v2\/review1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00011H\/v3\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00011H\/v3\/response1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00011H\/v2\/decision1","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00011H\/v1\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00011H\/v2\/review2","asserted-by":"object"},{"id-type":"doi","id":"10.1039\/D6CP00011H\/v1\/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]]}}}