{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T15:56:40Z","timestamp":1792598200392,"version":"4.5.0"},"reference-count":47,"publisher":"American Chemical Society (ACS)","issue":"41","license":[{"start":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T00:00:00Z","timestamp":1791244800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T00:00:00Z","timestamp":1791244800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T00:00:00Z","timestamp":1791244800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100017596","name":"Natural Science Basic Research Program of Shaanxi Province","doi-asserted-by":"publisher","award":["2026JC-YXQN-164"],"award-info":[{"award-number":["2026JC-YXQN-164"]}],"id":[{"id":"10.13039\/501100017596","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,21]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Inverted perovskite solar cells (PSCs) require efficient, aggregation-resistant hole-transporting self-assembled monolayers (SAMs) at the buried interface. Conventional carbazole-based SAMs, such as 4PACz, suffer from excessive \u03c0\u2013\u03c0 stacking-driven aggregation, leading to inhomogeneous films, elevated trap-state densities, and accelerated device degradation. Here, we report a machine-learning (ML)-guided design strategy employing a pairwise-ranking Siamese directed message-passing neural network (D-MPNN) trained on a curated data set of published SAM control\u2013target pairs. Statistical analysis of the data set reveals that the reduced tail-group planarity improves PCE relative to carbazole benchmarks. Guided by this insight, we designed two semirigid seven-membered-ring SAMs, 4-(5H-dibenzo[b,f]azepin-5-yl)butyl)phosphonic acid (4PABAP, ML score: +2.54) and 4-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)butyl)phosphonic acid (4PAHBAP, ML score: + 5.52) that the model ranked substantially above 4PACz (score: \u22120.32). Ab initio molecular dynamics (AIMD) simulations confirm that the nonplanar seven-membered rings suppress \u03c0\u2013\u03c0 stacking, enhance ITO-surface anchoring (interaction energies: 4PAHBAP \u22121.23 eV vs 4PACz \u22120.74 eV), and promote stronger charge transfer at the SAM\/perovskite interface. Experimentally, 4PAHBAP-based inverted PSCs achieve a champion power conversion efficiency (PCE) of 26.36% with a fill factor (FF) of 84.35% significantly outperforming 4PACz-based controls (23.52%, FF 77.51%). Moreover, 4PAHBAP-based devices retain 92.5% of initial PCE after 1,200 h of continuous 1-sun maximum-power-point (MPP) operation under ISOS-L-3 standards, and 95.7% after 1,200 h thermal aging at 85 \u00b0C (ISOS-D-2). This work establishes a generalizable ML-first-then-validate paradigm for rational SAM design that simultaneously maximizes efficiency and long-term operational durability.<\/jats:p>","DOI":"10.1021\/jacs.6c10673","type":"journal-article","created":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T14:35:29Z","timestamp":1791297329000},"page":"44269-44279","source":"Crossref","is-referenced-by-count":0,"title":["Machine-Learning-Guided\nDesign of Semirigid Hole-Selective\nSelf-Assembled Monolayers for High-Efficiency and Stable Perovskite\nSolar Cells"],"prefix":"10.1021","volume":"148","author":[{"given":"Qi","family":"Zhang","sequence":"first","affiliation":[{"name":"Northwestern Polytechnical University (NPU) , , ,","place":["Xi\u2019an, P. R. China, 710072"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-1915-0102","authenticated-orcid":true,"given":"Asmat","family":"Ullah","sequence":"additional","affiliation":[{"name":"King Abdullah University of Science and Technology (KAUST) , , ,","place":["Thuwal, Saudi Arabia, 23955-6900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4177-6393","authenticated-orcid":true,"given":"Jianyao","family":"Huang","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, Chinese Academy of Sciences , , ,","place":["Beijing, P. R. China, 100190"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8472-1651","authenticated-orcid":true,"given":"Caner","family":"Deg\u0306er","sequence":"additional","affiliation":[{"name":"Marmara University , , ,","place":["Istanbul, Turkey, 34722"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3268-6268","authenticated-orcid":true,"given":"Ilhan","family":"Yavuz","sequence":"additional","affiliation":[{"name":"Marmara University , , ,","place":["Istanbul, Turkey, 34722"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ruida","family":"Xu","sequence":"additional","affiliation":[{"name":"Northwestern Polytechnical University (NPU) , , ,","place":["Xi\u2019an, P. R. China, 710072"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yiguo","family":"Yao","sequence":"additional","affiliation":[{"name":"Northwestern Polytechnical University (NPU) , , ,","place":["Xi\u2019an, P. R. China, 710072"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vladyslav","family":"Hnapovskyi","sequence":"additional","affiliation":[{"name":"King Abdullah University of Science and Technology (KAUST) , , ,","place":["Thuwal, Saudi Arabia, 23955-6900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sofiia","family":"Kosar","sequence":"additional","affiliation":[{"name":"King Abdullah University of Science and Technology (KAUST) , , ,","place":["Thuwal, Saudi Arabia, 23955-6900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1012-1781","authenticated-orcid":true,"given":"Kai","family":"Wang","sequence":"additional","affiliation":[{"name":"Northwestern Polytechnical University (NPU) , , ,","place":["Xi\u2019an, P. R. China, 710072"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1619-9061","authenticated-orcid":true,"given":"Stefaan","family":"De Wolf","sequence":"additional","affiliation":[{"name":"King Abdullah University of Science and Technology (KAUST) , , ,","place":["Thuwal, Saudi Arabia, 23955-6900"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,10,6]]},"reference":[{"issue":"5","key":"2026102111070557400_cit1","doi-asserted-by":"publisher","first-page":"450","DOI":"10.1038\/s41566-024-01383-5","article-title":"Efficient and Stable\nPerovskite Solar Cells with Regulated Depletion Region","volume":"18","author":"Shen","year":"2024","journal-title":"Nat. Photonics"},{"key":"2026102111070557400_cit2","unstructured":"Best Research-Cell Efficiency Chart, National\nRenewable Energy laboratory (NREL), 2025."},{"issue":"7","key":"2026102111070557400_cit3","doi-asserted-by":"publisher","first-page":"1539","DOI":"10.1021\/acsenergylett.7b00276","article-title":"Charge-Carrier\nMobilities in Metal Halide Perovskites: Fundamental Mechanisms and\nLimits","volume":"2","author":"Herz","year":"2017","journal-title":"ACS Energy Lett."},{"issue":"11","key":"2026102111070557400_cit4","doi-asserted-by":"publisher","first-page":"2915","DOI":"10.1016\/j.joule.2021.07.016","article-title":"Charge Transfer Rates\nand Electron Trapping at Buried Interfaces of Perovskite Solar Cells","volume":"5","author":"Levine","year":"2021","journal-title":"Joule"},{"issue":"7992","key":"2026102111070557400_cit5","doi-asserted-by":"publisher","first-page":"557","DOI":"10.1038\/s41586-023-06784-0","article-title":"Homogenizing Out-of-Plane Cation Composition in Perovskite\nSolar Cells","volume":"624","author":"Liang","year":"2023","journal-title":"Nature"},{"issue":"49","key":"2026102111070557400_cit6","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.202208793","article-title":"Versatile Hole Selective\nMolecules\nContaining a Series of Heteroatoms as Self-Assembled Monolayers for\nEfficient P-i-n Perovskite and Organic Solar Cells","volume":"32","author":"Ullah","year":"2022","journal-title":"Adv. Funct. Mater."},{"issue":"7974","key":"2026102111070557400_cit7","doi-asserted-by":"publisher","first-page":"545","DOI":"10.1038\/s41586-023-06207-0","article-title":"Inverted Perovskite Solar Cells Using\nDimethylacridine-Based Dopants","volume":"620","author":"Tan","year":"2023","journal-title":"Nature"},{"issue":"1","key":"2026102111070557400_cit8","doi-asserted-by":"publisher","first-page":"101","DOI":"10.1021\/cr60287a006","article-title":"Dibenz[b,f]Azepines and Related Ring Systems","volume":"74","author":"Kricka","year":"1974","journal-title":"Chem. Rev."},{"issue":"3","key":"2026102111070557400_cit9","doi-asserted-by":"publisher","first-page":"171","DOI":"10.1007\/s10870-005-2953-6","article-title":"Synthesis\nand Crystal Structure of 5-Allyl-5Hdibenzo[b,f]Azepine","volume":"35","author":"Sadashiva","year":"2005","journal-title":"J. Chem. Crystallogr."},{"issue":"12","key":"2026102111070557400_cit10","doi-asserted-by":"publisher","first-page":"5924","DOI":"10.1021\/acsenergylett.4c02610","article-title":"Machine-Learning-Assisted\nDesign of Buried-Interface Engineering Materials for High-Efficiency\nand Stable Perovskite Solar Cells","volume":"9","author":"Zhang","year":"2024","journal-title":"ACS Energy\nLett."},{"issue":"5","key":"2026102111070557400_cit11","doi-asserted-by":"publisher","first-page":"580","DOI":"10.1002\/jcc.22885","article-title":"Multiwfn: A Multifunctional Wavefunction Analyzer","volume":"33","author":"Lu","year":"2012","journal-title":"J. Comput. Chem."},{"key":"2026102111070557400_cit12","doi-asserted-by":"publisher","first-page":"514","DOI":"10.1016\/j.carbon.2020.09.048","article-title":"Intermolecular\nInteraction Characteristics of the All-Carboatomic\nRing, Cyclo[18]Carbon: Focusing on Molecular Adsorption and Stacking","volume":"171","author":"Liu","year":"2021","journal-title":"Carbon"},{"issue":"33","key":"2026102111070557400_cit13","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.adg4417","article-title":"Discovery\nof Enhanced Lattice Dynamics in a Single-Layered Hybrid Perovskite","volume":"9","author":"Zhang","year":"2023","journal-title":"Sci. Adv."},{"issue":"12","key":"2026102111070557400_cit14","doi-asserted-by":"publisher","first-page":"1243","DOI":"10.1038\/s41566-024-01541-9","article-title":"Advances in\nInverted Perovskite Solar Cells","volume":"18","author":"Zhang","year":"2024","journal-title":"Nat. Photonics"},{"issue":"8024","key":"2026102111070557400_cit15","doi-asserted-by":"publisher","first-page":"301","DOI":"10.1038\/s41586-024-07712-6","article-title":"Peri-Fused Polyaromatic Molecular Contacts for Perovskite Solar Cells","volume":"632","author":"Zhao","year":"2024","journal-title":"Nature"},{"issue":"30","key":"2026102111070557400_cit16","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202505876","article-title":"Homogenized Self-Assembled Molecules\nfor Inverted Perovskite Solar Cells","volume":"64","author":"Feng","year":"2025","journal-title":"Angew.\nChem., Int. Ed."},{"issue":"30","key":"2026102111070557400_cit17","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202506048","article-title":"Reinforced Perovskite-Substrate\nInterfaces via Multi-Sited and Dual-Sided Anchoring","volume":"37","author":"Zhan","year":"2025","journal-title":"Adv. Mater."},{"issue":"1","key":"2026102111070557400_cit18","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-024-55523-0","article-title":"Self-Assembled Materials\nwith an Ordered Hydrophilic Bilayer for High Performance Inverted\nPerovskite Solar Cells","volume":"16","author":"Qu","year":"2025","journal-title":"Nat. Commun."},{"issue":"6591","key":"2026102111070557400_cit19","doi-asserted-by":"publisher","first-page":"416","DOI":"10.1126\/science.abm8566","article-title":"Organometallic-Functionalized Interfaces\nfor Highly Efficient Inverted Perovskite Solar Cells","volume":"376","author":"Li","year":"2022","journal-title":"Science"},{"issue":"7945","key":"2026102111070557400_cit20","doi-asserted-by":"publisher","first-page":"676","DOI":"10.1038\/s41586-022-05541-z","article-title":"Regulating Surface Potential Maximizes Voltage in All-Perovskite\nTandems","volume":"613","author":"Chen","year":"2023","journal-title":"Nature"},{"issue":"7","key":"2026102111070557400_cit21","doi-asserted-by":"publisher","first-page":"2123","DOI":"10.1016\/j.joule.2024.05.005","article-title":"Conjugated\nLinker-Boosted Self-Assembled Monolayer Molecule for Inverted Perovskite\nSolar Cells","volume":"8","author":"Qu","year":"2024","journal-title":"Joule"},{"issue":"13","key":"2026102111070557400_cit22","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202423827","article-title":"Reinforcing Coverage\nof Self-assembled Monomolecular Layers for Inverted\nPerovskite Solar Cells with Efficiency of 25.70%","volume":"64","author":"Zhang","year":"2025","journal-title":"Angew. Chem., Int. Ed."},{"issue":"6688","key":"2026102111070557400_cit23","doi-asserted-by":"publisher","first-page":"1236","DOI":"10.1126\/science.adj9602","article-title":"Reinforcing Self-Assembly of Hole Transport Molecules\nfor Stable Inverted Perovskite Solar Cells","volume":"383","author":"Tang","year":"2024","journal-title":"Science"},{"issue":"4","key":"2026102111070557400_cit24","doi-asserted-by":"publisher","first-page":"1880","DOI":"10.1021\/acsenergylett.4c00510","article-title":"Connecting Interfacial Mechanical\nAdhesion, Efficiency, and Operational Stability in High Performance\nInverted Perovskite Solar Cells","volume":"9","author":"Dai","year":"2024","journal-title":"ACS Energy\nLett."},{"issue":"7","key":"2026102111070557400_cit25","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202419375","article-title":"Methylthio Substituent\nin SAM Constructing Regulatory\nBridge with Photovoltaic Perovskites","volume":"64","author":"Chen","year":"2025","journal-title":"Angew.\nChem., Int. Ed."},{"issue":"1","key":"2026102111070557400_cit26","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-025-58111-y","article-title":"Modulating Competitive Adsorption\nof Hybrid Self-Assembled Molecules for Efficient Wide-Bandgap Perovskite\nSolar Cells and Tandems","volume":"16","author":"Shi","year":"2025","journal-title":"Nat. Commun."},{"issue":"7","key":"2026102111070557400_cit27","doi-asserted-by":"publisher","first-page":"3196","DOI":"10.1039\/D4EE05849F","article-title":"Face-on Oriented\nSelf-Assembled Molecules with Enhanced \u03c0\u2013\u03c0 Stacking\nfor Highly Efficient Inverted Perovskite Solar Cells on Rough FTO\nSubstrates","volume":"18","author":"Du","year":"2025","journal-title":"Energy Environ. Sci."},{"issue":"9","key":"2026102111070557400_cit28","doi-asserted-by":"publisher","first-page":"2585","DOI":"10.1016\/j.joule.2024.06.017","article-title":"Impact of the Valence\nBand Energy Alignment at the Hole-Collecting Interface on the Photostability\nof Wide Band-Gap Perovskite Solar Cells","volume":"8","author":"Torres Merino","year":"2024","journal-title":"Joule"},{"issue":"4","key":"2026102111070557400_cit29","doi-asserted-by":"publisher","first-page":"1682","DOI":"10.1021\/acsenergylett.4c00306","article-title":"Nonfullerene\nSelf-Assembled Monolayers As Electron-Selective Contacts for n-i-p\nPerovskite Solar Cells","volume":"9","author":"Utomo","year":"2024","journal-title":"ACS Energy Lett."},{"issue":"12","key":"2026102111070557400_cit30","doi-asserted-by":"publisher","first-page":"2894","DOI":"10.1016\/j.joule.2023.10.014","article-title":"Poly(Carbazole Phosphonic Acid) as\na Versatile Hole-Transporting Material for p-i-n Perovskite Solar\nCells and Modules","volume":"7","author":"Ren","year":"2023","journal-title":"Joule"},{"issue":"8025","key":"2026102111070557400_cit31","doi-asserted-by":"publisher","first-page":"536","DOI":"10.1038\/s41586-024-07723-3","article-title":"Buried Interface\nMolecular Hybrid for Inverted Perovskite Solar Cells","volume":"632","author":"Liu","year":"2024","journal-title":"Nature"},{"issue":"7963","key":"2026102111070557400_cit32","doi-asserted-by":"publisher","first-page":"80","DOI":"10.1038\/s41586-023-05992-y","article-title":"Improving Interface Quality for 1-cm2 All-Perovskite Tandem Solar Cells","volume":"618","author":"He","year":"2023","journal-title":"Nature"},{"issue":"6643","key":"2026102111070557400_cit33","doi-asserted-by":"publisher","first-page":"404","DOI":"10.1126\/science.adg3755","article-title":"Minimizing Buried Interfacial\nDefects for Efficient Inverted Perovskite Solar Cells","volume":"380","author":"Zhang","year":"2023","journal-title":"Science"},{"issue":"6668","key":"2026102111070557400_cit34","doi-asserted-by":"publisher","first-page":"284","DOI":"10.1126\/science.ade9637","article-title":"Stabilized\nHole-Selective Layer for High-Performance Inverted p-i-n\nPerovskite Solar Cells","volume":"382","author":"Li","year":"2023","journal-title":"Science"},{"issue":"45","key":"2026102111070557400_cit35","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202411730","article-title":"Spin-Coated\nand Vacuum-Processed Hole-Extracting Self-Assembled Multilayers with\nH-Aggregation for High-Performance Inverted Perovskite Solar Cells","volume":"63","author":"Jiang","year":"2024","journal-title":"Angew. Chem., Int. Ed."},{"issue":"36","key":"2026102111070557400_cit36","doi-asserted-by":"publisher","DOI":"10.1002\/advs.202404725","article-title":"Repairing Interfacial Defects in\nSelf-Assembled Monolayers for High-Efficiency Perovskite Solar Cells\nand Organic Photovoltaics through the SAM@Pseudo-Planar Monolayer\nStrategy","volume":"11","author":"Hung","year":"2024","journal-title":"Adv. Sci."},{"issue":"1","key":"2026102111070557400_cit37","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-024-47019-8","article-title":"Strain Regulates the Photovoltaic\nPerformance of Thick-Film Perovskites","volume":"15","author":"Shi","year":"2024","journal-title":"Nat.\nCommun."},{"issue":"34","key":"2026102111070557400_cit38","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202508782","article-title":"Self-Assembled \u03a0-Conjugated\nHole-Selective Molecules for UV-Resistant High-Efficiency Perovskite\nSolar Cells","volume":"64","author":"Zhang","year":"2025","journal-title":"Angew. Chem., Int. Ed."},{"issue":"40","key":"2026102111070557400_cit39","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202309831","article-title":"Self-Assembled Monolayers of Bi-Functionalized Porphyrins:\nA Novel\nClass of Hole-Layer-Coordinating Perovskites and Indium Tin Oxide\nin Inverted Solar Cells","volume":"62","author":"Hung","year":"2023","journal-title":"Angew. Chem., Int.\nEd."},{"issue":"6756","key":"2026102111070557400_cit40","doi-asserted-by":"publisher","first-page":"195","DOI":"10.1126\/science.adv4551","article-title":"Stable and Uniform\nSelf-Assembled Organic Diradical Molecules for Perovskite Photovoltaics","volume":"389","author":"Wu","year":"2025","journal-title":"Science"},{"issue":"8","key":"2026102111070557400_cit41","doi-asserted-by":"publisher","first-page":"1265","DOI":"10.1038\/s41563-025-02275-x","article-title":"Engineering\nBonding Sites Enables Uniform and Robust Self-Assembled Monolayer\nfor Stable Perovskite Solar Cells","volume":"24","author":"Luo","year":"2025","journal-title":"Nat. Mater."},{"issue":"28","key":"2026102111070557400_cit42","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202401537","article-title":"Bisphosphonate-Anchored\nSelf-Assembled Molecules with Larger Dipole Moments for Efficient\nInverted Perovskite Solar Cells with Excellent Stability","volume":"36","author":"Wu","year":"2024","journal-title":"Adv. Mater."},{"issue":"6","key":"2026102111070557400_cit43","doi-asserted-by":"publisher","first-page":"1723","DOI":"10.1016\/j.joule.2024.03.013","article-title":"Simplified Fabrication of High-Performance\nOrganic Solar Cells through the Design of Self-Assembling Hole-Transport\nMolecules","volume":"8","author":"Chen","year":"2024","journal-title":"Joule"},{"issue":"5","key":"2026102111070557400_cit44","doi-asserted-by":"publisher","first-page":"2138","DOI":"10.1021\/acs.chemrev.3c00396","article-title":"Self-Assembled\nMonolayers for Interfacial Engineering in Solution-Processed Thin-Film\nElectronic Devices: Design, Fabrication, and Applications","volume":"124","author":"Li","year":"2024","journal-title":"Chem. Rev."},{"key":"2026102111070557400_cit45","doi-asserted-by":"publisher","first-page":"181","DOI":"10.1038\/s41560-024-01680-x","article-title":"Determining the Bonding\u2013Degradation\nTrade-off at Heterointerfaces for Increased Efficiency and Stability\nof Perovskite Solar Cells","volume":"10","author":"Chen","year":"2025","journal-title":"Nat. Energy"},{"issue":"12","key":"2026102111070557400_cit46","doi-asserted-by":"publisher","first-page":"1269","DOI":"10.1038\/s41566-024-01531-x","article-title":"Regulating\nPhase Homogeneity by Self-Assembled\nMolecules for Enhanced Efficiency and Stability of Inverted Perovskite\nSolar Cells","volume":"18","author":"Wang","year":"2024","journal-title":"Nat. Photonics"},{"issue":"6700","key":"2026102111070557400_cit47","doi-asserted-by":"publisher","first-page":"1126","DOI":"10.1126\/science.adi4531","article-title":"Strong-Bonding Hole-Transport Layers Reduce Ultraviolet Degradation\nof Perovskite Solar Cells","volume":"384","author":"Fei","year":"2024","journal-title":"Science"}],"container-title":["Journal of the American\nChemical Society"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jacs.6c10673","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/jacsat\/article-pdf\/doi\/10.1021\/jacs.6c10673\/68756716\/jacs.6c10673.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/jacsat\/article-pdf\/doi\/10.1021\/jacs.6c10673\/68756716\/jacs.6c10673.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T15:31:32Z","timestamp":1792596692000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/jacsat\/article\/148\/41\/44269\/5445238\/Machine-Learning-Guided-Design-of-Semirigid-Hole"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10,6]]},"references-count":47,"journal-issue":{"issue":"41","published-online":{"date-parts":[[2026,10,6]]},"published-print":{"date-parts":[[2026,10,21]]}},"URL":"https:\/\/doi.org\/10.1021\/jacs.6c10673","relation":{},"ISSN":["0002-7863","1520-5126"],"issn-type":[{"value":"0002-7863","type":"print"},{"value":"1520-5126","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,10,6]]}}}