{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,8]],"date-time":"2026-10-08T15:58:22Z","timestamp":1791475102699,"version":"4.3.4"},"reference-count":51,"publisher":"American Chemical Society (ACS)","issue":"40","license":[{"start":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T00:00:00Z","timestamp":1790208000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T00:00:00Z","timestamp":1790208000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T00:00:00Z","timestamp":1790208000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,8]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Nonradiative recombination losses at the interface is a critical bottleneck limiting the performance of perovskite solar cells (PSCs). Self-assembled hole-transporting materials (SA-HTMs) can effectively suppress such recombination, playing a vital role in enhancing device performance. We propose a site-isomeric strategy by introducing dibenzofuran groups into the carbazole unit to design a series of SA-HTMs (DF1CA\u2013DF4CA), from which the most promising molecule was screened via theoretical calculations and subsequently synthesized in a targeted manner. In these designed molecules, theoretical simulated results indicate that DF4CA possesses a conjugated backbone with superior planarity, which can enhance its hole transport ability, interfacial adsorption, and packing density on the ITO substrate, thereby effectively suppressing interfacial nonradiative recombination. Ultimately, the DF4CA-based device achieved a power conversion efficiency of 25.68%, surpassing that of the control device (23.72%), validating the effectiveness of this strategy in regulating interfacial nonradiative recombination and enhancing device performance.<\/jats:p>","DOI":"10.1021\/acs.jpclett.6c02868","type":"journal-article","created":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T15:02:00Z","timestamp":1790262120000},"page":"11421-11429","source":"Crossref","is-referenced-by-count":0,"title":["Self-Assembled\nHole-Transporting Materials with Backbone\nIsomerization Strategy toward Inverted Perovskite Solar Cells: From\nTheoretical Design to Experiment"],"prefix":"10.1021","volume":"17","author":[{"given":"Ting","family":"Liu","sequence":"first","affiliation":[{"name":"Southwest University , , ,","place":["Chongqing, P. R. China, 400715"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haiyue","family":"Yang","sequence":"additional","affiliation":[{"name":"Southwest University , , ,","place":["Chongqing, P. R. China, 400715"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haitao","family":"Liu","sequence":"additional","affiliation":[{"name":"Henan Academy of Sciences , , , ,","place":["Zhengzhou, Henan, China, 450002"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fei","family":"Wu","sequence":"additional","affiliation":[{"name":"Southwest University , , ,","place":["Chongqing, P. R. China, 400715"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3100-2722","authenticated-orcid":true,"given":"Rongxing","family":"He","sequence":"additional","affiliation":[{"name":"Southwest University , , ,","place":["Chongqing, P. R. China, 400715"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9062-6490","authenticated-orcid":true,"given":"Xiaorui","family":"Liu","sequence":"additional","affiliation":[{"name":"Southwest University , , ,","place":["Chongqing, P. R. 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