{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,28]],"date-time":"2026-10-28T08:37:36Z","timestamp":1793176656619,"version":"4.5.0"},"reference-count":39,"publisher":"American Chemical Society (ACS)","issue":"42","license":[{"start":{"date-parts":[[2026,10,16]],"date-time":"2026-10-16T00:00:00Z","timestamp":1792108800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,10,16]],"date-time":"2026-10-16T00:00:00Z","timestamp":1792108800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,10,16]],"date-time":"2026-10-16T00:00:00Z","timestamp":1792108800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22475114"],"award-info":[{"award-number":["22475114"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["51933001"],"award-info":[{"award-number":["51933001"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["52303240"],"award-info":[{"award-number":["52303240"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["52433007"],"award-info":[{"award-number":["52433007"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007129","name":"Natural Science Foundation of Shandong Province","doi-asserted-by":"publisher","award":["ZR2026MS0757"],"award-info":[{"award-number":["ZR2026MS0757"]}],"id":[{"id":"10.13039\/501100007129","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,28]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Surface passivation is critical for high-performance perovskite solar cells (PSCs), yet achieving a uniform molecular layer is hindered by uncontrolled molecular aggregation, thereby limiting passivation efficiency. Here, we introduce an aggregation control strategy using two complementary molecules, 4-(trifluoromethyl)benzamidinium chloride (4BH) and piperazinium iodide (PI), directed by mutual N\u2013H\u00b7\u00b7\u00b7F hydrogen bonding to form a uniform passivation layer. It pre-empts the disordered self-aggregation for each component alone, yielding a pinhole-free layer with homogeneous surface potential and photocurrent distribution. This aggregation-controlled interface delivers cooperative benefits: (i) a built-in potential enhancement (&amp;gt;0.19 V relative to control) that repels minority carriers, (ii) a nearly 70% reduction in trap density (from 2.12 \u00d7 1015 to 0.71 \u00d7 1015 cm\u20133), and (iii) a reduced electron injection barrier to C60, reflected in a \u223c13.5% relative increase in the fill factor (from 73.77 to 83.72%). Consequently, inverted PSCs based on the 4BH:PI pair achieve a champion efficiency of 26.23% and retain 91% of their initial performance after 700 h of illumination at the maximum power point tracking, outperforming single-component devices. This work establishes aggregation control via specific hydrogen bonding as a design principle that has received limited attention for surface passivation, offering a simple molecular-pair engineering route toward efficient and stable perovskite photovoltaics.<\/jats:p>","DOI":"10.1021\/acsami.6c13733","type":"journal-article","created":{"date-parts":[[2026,10,16]],"date-time":"2026-10-16T19:02:27Z","timestamp":1792177347000},"page":"57451-57461","source":"Crossref","is-referenced-by-count":0,"title":["Hydrogen-Bonding-Guided Molecular Pair Suppresses Self-Aggregation for Uniform Passivation of Efficient Inverted Perovskite Solar Cells"],"prefix":"10.1021","volume":"18","author":[{"given":"Yuqi","family":"Wang","sequence":"first","affiliation":[{"name":"Qingdao University , , ,","place":["Qingdao, China, 266071"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-8517-1197","authenticated-orcid":true,"given":"Dan","family":"Ouyang","sequence":"additional","affiliation":[{"name":"Qingdao University , , ,","place":["Qingdao, China, 266071"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tianman","family":"Wu","sequence":"additional","affiliation":[{"name":"Qingdao University , , ,","place":["Qingdao, China, 266071"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0002-3629-1252","authenticated-orcid":true,"given":"Andong","family":"Zhang","sequence":"additional","affiliation":[{"name":"Qingdao University , , ,","place":["Qingdao, China, 266071"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3494-6390","authenticated-orcid":true,"given":"Yuqiang","family":"Liu","sequence":"additional","affiliation":[{"name":"Qingdao University , , ,","place":["Qingdao, China, 266071"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0126-7957","authenticated-orcid":true,"given":"Zhishan","family":"Bo","sequence":"additional","affiliation":[{"name":"Beijing Normal University , , ,","place":["Beijing, China, 100875"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,10,16]]},"reference":[{"issue":"19","key":"2026102802071832600_cit1","doi-asserted-by":"publisher","first-page":"10623","DOI":"10.1021\/acs.chemrev.4c00073","article-title":"The promise and challenges of inverted perovskite solar cells","volume":"124","author":"Chen","year":"2024","journal-title":"Chem. Rev."},{"issue":"4","key":"2026102802071832600_cit2","doi-asserted-by":"publisher","DOI":"10.1002\/ente.202100952","article-title":"Inverted perovskite solar cells: the emergence of a highly stable and efficient architecture","volume":"10","author":"Pr\u00edncipe","year":"2022","journal-title":"Energy Technol."},{"issue":"7","key":"2026102802071832600_cit3","doi-asserted-by":"publisher","first-page":"425","DOI":"10.1002\/pip.3831","article-title":"Solar cell efficiency tables (Version 64)","volume":"32","author":"Green","year":"2024","journal-title":"Progr. Photovoltaics: Res. Appl."},{"issue":"6603","key":"2026102802071832600_cit4","doi-asserted-by":"publisher","first-page":"302","DOI":"10.1126\/science.abn8910","article-title":"Efficient and stable perovskite-silicon tandem solar cells through contact displacement by MgFx","volume":"377","author":"Liu","year":"2022","journal-title":"Science"},{"key":"2026102802071832600_cit5","doi-asserted-by":"publisher","first-page":"55","DOI":"10.1038\/s41566-025-01791-1","article-title":"Stabilizing high-efficiency perovskite solar cells via strategic interfacial contact engineering","volume":"20","author":"Li","year":"2026","journal-title":"Nat. Photonics"},{"issue":"6591","key":"2026102802071832600_cit6","doi-asserted-by":"publisher","first-page":"416","DOI":"10.1126\/science.abm8566","article-title":"Organometallic-functionalized interfaces for highly efficient inverted perovskite solar cells","volume":"376","author":"Li","year":"2022","journal-title":"Science"},{"issue":"6484","key":"2026102802071832600_cit7","doi-asserted-by":"publisher","first-page":"1352","DOI":"10.1126\/science.aba0893","article-title":"Resolving spatial and energetic distributions of trap states in metal halide perovskite solar cells","volume":"367","author":"Ni","year":"2020","journal-title":"Science"},{"issue":"14","key":"2026102802071832600_cit8","doi-asserted-by":"publisher","first-page":"3842","DOI":"10.1039\/c8cs00853a","article-title":"Imperfections and their passivation in halide perovskite solar cells","volume":"48","author":"Chen","year":"2019","journal-title":"Chem. Soc. Rev."},{"issue":"30","key":"2026102802071832600_cit9","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202006004","article-title":"Recent progress on perovskite surfaces and interfaces in optoelectronic devices","volume":"33","author":"Luo","year":"2021","journal-title":"Adv. Mater."},{"issue":"2","key":"2026102802071832600_cit10","doi-asserted-by":"publisher","first-page":"509","DOI":"10.1039\/D4EE02917H","article-title":"Suppressing non-radiative recombination for efficient and stable perovskite solar cells","volume":"18","author":"Tao","year":"2025","journal-title":"Energy Environ. Sci."},{"issue":"6588","key":"2026102802071832600_cit11","doi-asserted-by":"publisher","first-page":"73","DOI":"10.1126\/science.abm5784","article-title":"Damp heat\u2013stable perovskite solar cells with tailored-dimensionality 2D\/3D heterojunctions","volume":"376","author":"Azmi","year":"2022","journal-title":"Science"},{"issue":"7935","key":"2026102802071832600_cit12","doi-asserted-by":"publisher","first-page":"278","DOI":"10.1038\/s41586-022-05268-x","article-title":"Surface reaction for efficient and stable inverted perovskite solar cells","volume":"611","author":"Jiang","year":"2022","journal-title":"Nature"},{"issue":"11","key":"2026102802071832600_cit13","doi-asserted-by":"publisher","first-page":"4017","DOI":"10.1039\/D0EE01767A","article-title":"Defect passivation strategies in perovskites for an enhanced photovoltaic performance","volume":"13","author":"Fu","year":"2020","journal-title":"Energy Environ. Sci."},{"issue":"41","key":"2026102802071832600_cit14","doi-asserted-by":"publisher","DOI":"10.1002\/aenm.202102281","article-title":"Design of superhydrophobic surfaces for stable perovskite solar cells with reducing lead leakage","volume":"11","author":"Zhang","year":"2021","journal-title":"Adv. Energy Mater."},{"key":"2026102802071832600_cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.nanoen.2026.111799","article-title":"Symmetry-breaking engineering of piperazinium halides enables synergistic surface passivation and bulk enhancement in inverted perovskite solar cells and modules","volume":"151","author":"Gao","year":"2026","journal-title":"Nano Energy"},{"issue":"43","key":"2026102802071832600_cit16","doi-asserted-by":"publisher","first-page":"59453","DOI":"10.1021\/acsami.5c16729","article-title":"Orientation-tuned piperazinium derivatives for efficient and stable inverted perovskite solar cells","volume":"17","author":"You","year":"2025","journal-title":"ACS Appl. Mater. Interfaces"},{"issue":"16","key":"2026102802071832600_cit17","doi-asserted-by":"publisher","DOI":"10.1002\/solr.202500389","article-title":"Molecular engineering of alkylammonium interfaces for enhanced efficiency in perovskite solar cells","volume":"9","author":"Almalki","year":"2025","journal-title":"Solar RRL"},{"issue":"44","key":"2026102802071832600_cit18","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.adz2781","article-title":"Homogenizing hole-selective contacts for centimeter-square flexible perovskite\/Cu(In,Ga)Se2 tandems","volume":"11","author":"Zhou","year":"2025","journal-title":"Sci. Adv."},{"key":"2026102802071832600_cit19","doi-asserted-by":"publisher","first-page":"5694","DOI":"10.1038\/s41467-026-72160-x","article-title":"Uniform and ordered self-assembled hole-selective layers driven by \u03c0-\u03c0 interactions for efficient perovskite-silicon tandem solar cells","author":"Luo","year":"2026","journal-title":"Nat. Commun."},{"issue":"6672","key":"2026102802071832600_cit20","doi-asserted-by":"publisher","first-page":"810","DOI":"10.1126\/science.adk1633","article-title":"Bimolecularly passivated interface enables efficient and stable inverted perovskite solar cells","volume":"382","author":"Liu","year":"2023","journal-title":"Science"},{"issue":"10","key":"2026102802071832600_cit21","doi-asserted-by":"publisher","first-page":"2863","DOI":"10.1016\/j.joule.2024.07.003","article-title":"Binary cations minimize energy loss in the wide-band-gap perovskite toward efficient all-perovskite tandem solar cells","volume":"8","author":"Zhang","year":"2024","journal-title":"Joule"},{"issue":"14","key":"2026102802071832600_cit22","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202500501","article-title":"Reduction of nonradiative recombination at perovskite\/C60 interface in inverted perovskite solar cells","volume":"37","author":"Zhang","year":"2025","journal-title":"Adv. Mater."},{"issue":"6724","key":"2026102802071832600_cit23","doi-asserted-by":"publisher","first-page":"898","DOI":"10.1126\/science.adr2091","article-title":"Amidination of ligands for chemical and field-effect passivation stabilizes perovskite solar cells","volume":"386","author":"Yang","year":"2024","journal-title":"Science"},{"issue":"1","key":"2026102802071832600_cit24","doi-asserted-by":"publisher","first-page":"8620","DOI":"10.1038\/s41467-024-52925-y","article-title":"Enhanced charge carrier transport and defects mitigation of passivation layer for efficient perovskite solar cells","volume":"15","author":"Qu","year":"2024","journal-title":"Nat. Commun."},{"issue":"8039","key":"2026102802071832600_cit25","doi-asserted-by":"publisher","first-page":"596","DOI":"10.1038\/s41586-024-07997-7","article-title":"Perovskite\/silicon tandem solar cells with bilayer interface passivation","volume":"635","author":"Liu","year":"2024","journal-title":"Nature"},{"key":"2026102802071832600_cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2025.163363","article-title":"Chemical and field-effect passivation coupling for performance enhancement of inverted wide-bandgap perovskite solar cells","volume":"514","author":"Wei","year":"2025","journal-title":"Chem. Eng. J."},{"issue":"34","key":"2026102802071832600_cit27","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.202002366","article-title":"Aryl diammonium iodide passivation for efficient and stable hybrid organ-inorganic perovskite solar cells","volume":"30","author":"Hou","year":"2020","journal-title":"Adv. Funct. Mater."},{"issue":"48","key":"2026102802071832600_cit28","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.75644","article-title":"Inorganic-organic synergistic passivation via grain boundary-selective ALD-Al2O3 and piperazine-1,4-diium iodide for efficient wide-bandgap perovskite solar cells","volume":"36","author":"Yang","year":"2026","journal-title":"Adv. Funct. Mater."},{"issue":"3","key":"2026102802071832600_cit29","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202513151","article-title":"Bisphosphonate-embedded a \u03c0-conjugated passivator enable efficient and stable n-i-p perovskite solar cells with low-polarity solvent processing","volume":"38","author":"Liao","year":"2026","journal-title":"Adv. Mater."},{"issue":"9","key":"2026102802071832600_cit30","doi-asserted-by":"publisher","first-page":"1074","DOI":"10.1038\/s41560-025-01791-z","article-title":"Fluorinated isopropanol for improved defect passivation and reproducibility in perovskite solar cells","volume":"10","author":"Wang","year":"2025","journal-title":"Nat. Energy"},{"issue":"46","key":"2026102802071832600_cit31","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202509782","article-title":"Self-consistent cation\u2013anion integration eliminates passivation crosstalk for inverted perovskite solar cells","volume":"64","author":"Guan","year":"2025","journal-title":"Angew. Chem., Int. Ed."},{"issue":"37","key":"2026102802071832600_cit32","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202512660","article-title":"Monodisperse regulation of self-assembled monolayer via dipole molecules for efficient perovskite solar cells","volume":"64","author":"Zhang","year":"2025","journal-title":"Angew. Chem., Int. Ed."},{"issue":"2","key":"2026102802071832600_cit33","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202418763","article-title":"Ligand assisted hydrogen bonding: a game-changer in lead passivation and stability in perovskite solar cells","volume":"64","author":"Ahmed","year":"2025","journal-title":"Angew. Chem., Int. Ed."},{"key":"2026102802071832600_cit34","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2025.171573","article-title":"Efficient and air-stable perovskite solar cells driven by interfacial self-assembly and hydrogen bond system: Dual interface passivation and collaborative mechanism","volume":"527","author":"Wang","year":"2026","journal-title":"Chem. Eng. J."},{"issue":"12","key":"2026102802071832600_cit35","doi-asserted-by":"publisher","first-page":"1507","DOI":"10.1038\/s41563-023-01705-y","article-title":"Anion optimization for bifunctional surface passivation in perovskite solar cells","volume":"22","author":"Xu","year":"2023","journal-title":"Nat. Mater."},{"issue":"25","key":"2026102802071832600_cit36","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202313673","article-title":"Realizing stable perovskite solar cells with efficiency exceeding 256% through crystallization kinetics and spatial orientation regulation","volume":"36","author":"Jiao","year":"2024","journal-title":"Adv. Mater."},{"issue":"17","key":"2026102802071832600_cit37","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202501764","article-title":"Crystallization thermodynamics regulation of 185\u2005eV wide-bandgap perovskite for efficient and stable perovskite-organic tandem photovoltaics","volume":"64","author":"Xie","year":"2025","journal-title":"Angew. Chem., Int. Ed."},{"issue":"1","key":"2026102802071832600_cit38","doi-asserted-by":"publisher","first-page":"8986","DOI":"10.1038\/s41467-025-64032-7","article-title":"Organic film evolution and recombination losses in highly efficient perovskite\/organic tandem solar cells","volume":"16","author":"Cui","year":"2025","journal-title":"Nat. Commun."},{"issue":"47","key":"2026102802071832600_cit39","doi-asserted-by":"publisher","first-page":"20134","DOI":"10.1021\/jacs.0c09845","article-title":"Regulating surface termination for efficient inverted perovskite solar cells with greater than 23% efficiency","volume":"142","author":"Li","year":"2020","journal-title":"J. Am. Chem. Soc."}],"container-title":["ACS Applied Materials &amp; Interfaces"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsami.6c13733","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/aamick\/article-pdf\/18\/42\/57451\/68893974\/am-2026-13733k.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/aamick\/article-pdf\/18\/42\/57451\/68893974\/am-2026-13733k.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,28]],"date-time":"2026-10-28T08:12:49Z","timestamp":1793175169000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/aamick\/article\/18\/42\/57451\/5453126\/Hydrogen-Bonding-Guided-Molecular-Pair-Suppresses"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10,16]]},"references-count":39,"journal-issue":{"issue":"42","published-online":{"date-parts":[[2026,10,16]]},"published-print":{"date-parts":[[2026,10,28]]}},"URL":"https:\/\/doi.org\/10.1021\/acsami.6c13733","relation":{},"ISSN":["1944-8244","1944-8252"],"issn-type":[{"value":"1944-8244","type":"print"},{"value":"1944-8252","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,10,16]]}}}