Pub Date : 2026-01-21DOI: 10.1016/j.joule.2025.102232
Zikang Yu , Chenjie Gan , Siyuan Song , Pradeep Guduru , Kyung-Suk Kim , Brian W. Sheldon
Lithium dendrite penetration remains a critical challenge for solid-state batteries. In this study, we provide direct experimental evidence that compressive residual stress alone, without any chemical modification, can suppress lithium dendrite propagation and improve electrochemical performance. These stresses were generated by imposing sustained through-thickness thermal gradients across Li₆.₄La₃Zr₁.₅Ta₀.₅O₁₂ (LLZTO), leading to a consistent 3-fold increase in critical current density (CCD) compared with respective isothermal controls. The magnitude of the generated stresses in the solid electrolyte was independently verified through strain-gauge and optical curvature measurements. Finite element analysis (FEA) was also conducted to interpret these stress results and to provide a broader analysis of the relationship between compressive stress and dendrite suppression. Together, these results isolate mechanical contributions of residual compressive stress as a dominant factor in dendrite resistance, establishing a mechanically driven strategy for stress engineering in solid-state batteries and providing a general design principle for robust, dendrite-free operation.
{"title":"Dendrite suppression in garnet electrolytes via thermally induced compressive stress","authors":"Zikang Yu , Chenjie Gan , Siyuan Song , Pradeep Guduru , Kyung-Suk Kim , Brian W. Sheldon","doi":"10.1016/j.joule.2025.102232","DOIUrl":"10.1016/j.joule.2025.102232","url":null,"abstract":"<div><div>Lithium dendrite penetration remains a critical challenge for solid-state batteries. In this study, we provide direct experimental evidence that compressive residual stress alone, without any chemical modification, can suppress lithium dendrite propagation and improve electrochemical performance. These stresses were generated by imposing sustained through-thickness thermal gradients across Li₆.₄La₃Zr₁.₅Ta₀.₅O₁₂ (LLZTO), leading to a consistent 3-fold increase in critical current density (CCD) compared with respective isothermal controls. The magnitude of the generated stresses in the solid electrolyte was independently verified through strain-gauge and optical curvature measurements. Finite element analysis (FEA) was also conducted to interpret these stress results and to provide a broader analysis of the relationship between compressive stress and dendrite suppression. Together, these results isolate mechanical contributions of residual compressive stress as a dominant factor in dendrite resistance, establishing a mechanically driven strategy for stress engineering in solid-state batteries and providing a general design principle for robust, dendrite-free operation.</div></div>","PeriodicalId":343,"journal":{"name":"Joule","volume":"10 1","pages":"Article 102232"},"PeriodicalIF":35.4,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145759485","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-21DOI: 10.1016/j.joule.2025.102274
Yu Wu , Zhaochen Ran , Yalun Li , Yong Peng , Lihong Gao , Dongsheng Ren , Zhuang Ma , Chengshan Xu , Xuning Feng , Li Wang , Languang Lu , Jitao Chen , Xiangming He , Minggao Ouyang
Better lithium-ion batteries with high-safety, high-voltage, wide-temperature, and fast-charging performances are urgently demanded for diverse applications, such as electric vehicles, large-scale grid systems, and special defense/polar/aerospace/seabed purposes. The electrolyte engineering is widely recognized as the simplest and most powerful strategy. Although the ethylene carbonate (EC) solvent has dominated the electrolyte market for more than 30 years, the issues of serious side reactions at high temperature/voltage, sluggish desolvation kinetics, and formation of high Li+ diffusion resistance interphase greatly hinder further development. Given the urgency for EC-free electrolytes and the notable progress, a comprehensive and timely review is imperative. This review presents the advances of EC-free electrolytes with enhanced performance. Additionally, we emphasize future directions and perspectives on EC-free electrolyte design for better lithium-ion batteries toward practical applications.
{"title":"Ethylene carbonate-free electrolytes toward better lithium-ion batteries","authors":"Yu Wu , Zhaochen Ran , Yalun Li , Yong Peng , Lihong Gao , Dongsheng Ren , Zhuang Ma , Chengshan Xu , Xuning Feng , Li Wang , Languang Lu , Jitao Chen , Xiangming He , Minggao Ouyang","doi":"10.1016/j.joule.2025.102274","DOIUrl":"10.1016/j.joule.2025.102274","url":null,"abstract":"<div><div>Better lithium-ion batteries with high-safety, high-voltage, wide-temperature, and fast-charging performances are urgently demanded for diverse applications, such as electric vehicles, large-scale grid systems, and special defense/polar/aerospace/seabed purposes. The electrolyte engineering is widely recognized as the simplest and most powerful strategy. Although the ethylene carbonate (EC) solvent has dominated the electrolyte market for more than 30 years, the issues of serious side reactions at high temperature/voltage, sluggish desolvation kinetics, and formation of high Li<sup>+</sup> diffusion resistance interphase greatly hinder further development. Given the urgency for EC-free electrolytes and the notable progress, a comprehensive and timely review is imperative. This review presents the advances of EC-free electrolytes with enhanced performance. Additionally, we emphasize future directions and perspectives on EC-free electrolyte design for better lithium-ion batteries toward practical applications.</div></div>","PeriodicalId":343,"journal":{"name":"Joule","volume":"10 1","pages":"Article 102274"},"PeriodicalIF":35.4,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145902961","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-21DOI: 10.1016/j.joule.2025.102227
Jian Huang , Letian Zhang , Cem Yilmaz , Geping Qu , Ido Zemer , Rik Hooijer , Siyuan Cai , Ali Buyruk , Hao Zhu , Meriem Bouraoui , Achim Hartschuh , Ryota Mishima , Kenji Yamamoto , Caner Deger , Ilhan Yavuz , Alex K.-Y. Jen , Esma Ugur , Stefaan De Wolf , Igal Levine , Zong-Xiang Xu , Erkan Aydin
High-efficiency perovskite-silicon tandem solar cells require effective charge recombination at the interconnecting junction. On textured silicon bottom cells, conventional alkyl-chain-based self-assembled molecules (SAMs) tend to aggregate, limiting device performance. To overcome this, we synthesized a conjugated linker SAM, (4-(7H-dibenzo[c,g]carbazol-7-yl)phenyl)phosphonic acid (Bz-PhpPACz), enabling efficient charge transport. Our molecular design included controlling bromine (Br) impurities in the SAM precursors, as chemical analysis revealed that commercial 4PADCB contains trace bromine species that passivate interface defects. We optimized the molecular mixture by precisely blending brominated and non-brominated counterparts. The conjugated framework promotes charge transport on rough surfaces, while bromine improves energy alignment, passivates defects, and relieves lattice strain in the perovskite layer. This approach yielded perovskite-silicon tandem cells on Czochralski (CZ) silicon with 31.4% efficiency, highlighting the critical role of molecular design and impurity control in achieving high-performance tandem devices.
{"title":"Enhanced charge extraction in textured perovskite-silicon tandem solar cells via molecular contact functionalization","authors":"Jian Huang , Letian Zhang , Cem Yilmaz , Geping Qu , Ido Zemer , Rik Hooijer , Siyuan Cai , Ali Buyruk , Hao Zhu , Meriem Bouraoui , Achim Hartschuh , Ryota Mishima , Kenji Yamamoto , Caner Deger , Ilhan Yavuz , Alex K.-Y. Jen , Esma Ugur , Stefaan De Wolf , Igal Levine , Zong-Xiang Xu , Erkan Aydin","doi":"10.1016/j.joule.2025.102227","DOIUrl":"10.1016/j.joule.2025.102227","url":null,"abstract":"<div><div>High-efficiency perovskite-silicon tandem solar cells require effective charge recombination at the interconnecting junction. On textured silicon bottom cells, conventional alkyl-chain-based self-assembled molecules (SAMs) tend to aggregate, limiting device performance. To overcome this, we synthesized a conjugated linker SAM, (4-(7<em>H</em>-dibenzo[<em>c</em>,<em>g</em>]carbazol-7-yl)phenyl)phosphonic acid (Bz-Ph<em>p</em>PACz), enabling efficient charge transport. Our molecular design included controlling bromine (Br) impurities in the SAM precursors, as chemical analysis revealed that commercial 4PADCB contains trace bromine species that passivate interface defects. We optimized the molecular mixture by precisely blending brominated and non-brominated counterparts. The conjugated framework promotes charge transport on rough surfaces, while bromine improves energy alignment, passivates defects, and relieves lattice strain in the perovskite layer. This approach yielded perovskite-silicon tandem cells on Czochralski (CZ) silicon with 31.4% efficiency, highlighting the critical role of molecular design and impurity control in achieving high-performance tandem devices.</div></div>","PeriodicalId":343,"journal":{"name":"Joule","volume":"10 1","pages":"Article 102227"},"PeriodicalIF":35.4,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145732384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-21DOI: 10.1016/j.joule.2025.102218
Haochi Wu , Qinqin Kong , Matthew Huber , Mingyang Sun , Michael T. Craig
Solar photovoltaic (PV) panels have reduced performance, reliability, and lifespans at high operational temperatures. We show that climate change will increase high-temperature risks (HTRs) and the resulting PV degradation and costs for rooftop PVs (RPVs) globally. We combine bias-corrected outputs from global climate models with a bottom-up PV physical-chemical Arrhenius degradation and economic model. When mounted on tilted roofs, global RPV capacity exposure to HTR increases by 29% and 97% at 2°C to 4°C global warming relative to the historical period, respectively. Warming-induced increases in HTRs accelerate PV aging and degradation, increasing the levelized cost of electricity (LCOE). At 2.5°C of warming, the mean (5th–95th percentile) LCOE increase is 4.8% (0.6%–20.0%) across cities exposed to HTRs globally. These changes will exacerbate regional inequities in RPV reliability and cost. Via sensitivity analysis, we find qualitatively similar insights from climate change for alternative PV technologies and for PVs mounted on flat roofs. Standards for PV HTRs should be updated to reflect a changing climate.
{"title":"Climate change will increase high-temperature risks, degradation, and costs of rooftop photovoltaics globally","authors":"Haochi Wu , Qinqin Kong , Matthew Huber , Mingyang Sun , Michael T. Craig","doi":"10.1016/j.joule.2025.102218","DOIUrl":"10.1016/j.joule.2025.102218","url":null,"abstract":"<div><div>Solar photovoltaic (PV) panels have reduced performance, reliability, and lifespans at high operational temperatures. We show that climate change will increase high-temperature risks (HTRs) and the resulting PV degradation and costs for rooftop PVs (RPVs) globally. We combine bias-corrected outputs from global climate models with a bottom-up PV physical-chemical Arrhenius degradation and economic model. When mounted on tilted roofs, global RPV capacity exposure to HTR increases by 29% and 97% at 2°C to 4°C global warming relative to the historical period, respectively. Warming-induced increases in HTRs accelerate PV aging and degradation, increasing the levelized cost of electricity (LCOE). At 2.5°C of warming, the mean (5th–95th percentile) LCOE increase is 4.8% (0.6%–20.0%) across cities exposed to HTRs globally. These changes will exacerbate regional inequities in RPV reliability and cost. Via sensitivity analysis, we find qualitatively similar insights from climate change for alternative PV technologies and for PVs mounted on flat roofs. Standards for PV HTRs should be updated to reflect a changing climate.</div></div>","PeriodicalId":343,"journal":{"name":"Joule","volume":"10 1","pages":"Article 102218"},"PeriodicalIF":35.4,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-21DOI: 10.1016/j.joule.2025.102275
Yuan Yu
In recently published work in Advanced Materials, Zhao and colleagues proposed a “synergistic material-interface engineering” strategy that yielded a nearly Te-free PbSe-based thermoelectric module with high power generation and cooling efficiency across a broad temperature range. Their work offers valuable insights into developing sustainable thermoelectrics through integrated materials and device-level design.
{"title":"Advancing thermoelectrics from materials to devices","authors":"Yuan Yu","doi":"10.1016/j.joule.2025.102275","DOIUrl":"10.1016/j.joule.2025.102275","url":null,"abstract":"<div><div>In recently published work in <em>Advanced Materials</em>, Zhao and colleagues proposed a “synergistic material-interface engineering” strategy that yielded a nearly Te-free PbSe-based thermoelectric module with high power generation and cooling efficiency across a broad temperature range. Their work offers valuable insights into developing sustainable thermoelectrics through integrated materials and device-level design.</div></div>","PeriodicalId":343,"journal":{"name":"Joule","volume":"10 1","pages":"Article 102275"},"PeriodicalIF":35.4,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146006726","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Scalable fabrication of wide-band-gap perovskite sub-cells under ambient conditions is essential for commercial perovskite/silicon tandem photovoltaics. However, uncontrolled ambient moisture renders crystallization unmanageable and triggers irreversible surface decomposition. To address this, we innovate a wet-film intervention strategy using bifunctional n-butylammonium thiocyanate (nBASCN) to regulate perovskite crystallization and mitigate the adverse impact of moisture. The strategic incorporation of SCN− into wet films enables homogeneous secondary grain growth with enhanced crystallinity and grain size by decoupling the crystallization process from environmental humidity. Optimally tailored nBA+ cations balance hydrophobicity with SCN−-assisted crystallization, constructing a self-volatile 2D hydrophobic barrier that effectively suppresses moisture-induced surface degradation without compromising charge transport. As a result, we achieved a remarkable efficiency of 30.71% (certified 30.51%) for perovskite/silicon tandem devices (1.1664 cm2) and 29.09% for large-area tandem devices (16 cm2), representing the highest efficiency of perovskite/silicon tandem solar cells via scalable fabrication in ambient air.
{"title":"Scalable ambient fabrication of perovskite/silicon tandem solar cells via wet-film intervention","authors":"Jiajia Hong, Xuntian Zheng, Haowen Luo, Bowen Yang, Jiajia Suo, Xinrui Han, Zijing Chu, Lu Zhao, Hongfei Sun, Shuncheng Yang, Yijia Guo, Jinyan Guo, Wennan Ou, Enzuo Wang, Anh Dinh Bui, Khoa Nguyen, Daniel MacDonald, Renxing Lin, Wenchi Kong, Hairen Tan","doi":"10.1016/j.joule.2025.102237","DOIUrl":"https://doi.org/10.1016/j.joule.2025.102237","url":null,"abstract":"Scalable fabrication of wide-band-gap perovskite sub-cells under ambient conditions is essential for commercial perovskite/silicon tandem photovoltaics. However, uncontrolled ambient moisture renders crystallization unmanageable and triggers irreversible surface decomposition. To address this, we innovate a wet-film intervention strategy using bifunctional n-butylammonium thiocyanate (nBASCN) to regulate perovskite crystallization and mitigate the adverse impact of moisture. The strategic incorporation of SCN<sup>−</sup> into wet films enables homogeneous secondary grain growth with enhanced crystallinity and grain size by decoupling the crystallization process from environmental humidity. Optimally tailored nBA<sup>+</sup> cations balance hydrophobicity with SCN<sup>−</sup>-assisted crystallization, constructing a self-volatile 2D hydrophobic barrier that effectively suppresses moisture-induced surface degradation without compromising charge transport. As a result, we achieved a remarkable efficiency of 30.71% (certified 30.51%) for perovskite/silicon tandem devices (1.1664 cm<sup>2</sup>) and 29.09% for large-area tandem devices (16 cm<sup>2</sup>), representing the highest efficiency of perovskite/silicon tandem solar cells via scalable fabrication in ambient air.","PeriodicalId":343,"journal":{"name":"Joule","volume":"57 1","pages":""},"PeriodicalIF":39.8,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146005762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-31DOI: 10.1016/j.joule.2025.102236
Xiao Li, Rebecca R. Hernandez, Alona Armstrong, Pan Liu, Sarah M. Jordaan
Global energy transitions with high growth in solar photovoltaics must consider land consequences and economics to align with sustainability goals. We quantify a capacity-weighted average value of land-use efficiency (LUE) as 57 (37–62, 25th–75th percentile) W/m2, and lifetime land transformation (LTL) as 409 (300–537) m2/GWh for all large, ground-mounted photovoltaic (G-PV) plants globally. Asia Pacific had a 15% higher LUE (and a 21% lower LT) compared with other regions. High growth in solar is anticipated to impact only 0.1%–0.2% of the global land mass by 2050. Results inform comparisons of levelized costs and capital expenditures of rooftop (land-sparing) vs. large, ground-mounted (land-intensive) PV solar energy buildouts by country and region. Substituting land-intensive with land-sparing PV buildouts is most expensive in the United States ($950–1,030/kW by 2050) and cheapest in Brazil ($−70 – −60/kW, by 2050). Results point to the need to determine economic implications of global land-sparing opportunities and enact policies to support local implementation.
{"title":"Global land and solar energy relationships for sustainability","authors":"Xiao Li, Rebecca R. Hernandez, Alona Armstrong, Pan Liu, Sarah M. Jordaan","doi":"10.1016/j.joule.2025.102236","DOIUrl":"https://doi.org/10.1016/j.joule.2025.102236","url":null,"abstract":"Global energy transitions with high growth in solar photovoltaics must consider land consequences and economics to align with sustainability goals. We quantify a capacity-weighted average value of land-use efficiency (LUE) as 57 (37–62, 25<sup>th</sup>–75<sup>th</sup> percentile) W/m<sup>2</sup>, and lifetime land transformation (LT<sub>L</sub>) as 409 (300–537) m<sup>2</sup>/GWh for all large, ground-mounted photovoltaic (G-PV) plants globally. Asia Pacific had a 15% higher LUE (and a 21% lower LT) compared with other regions. High growth in solar is anticipated to impact only 0.1%–0.2% of the global land mass by 2050. Results inform comparisons of levelized costs and capital expenditures of rooftop (land-sparing) vs. large, ground-mounted (land-intensive) PV solar energy buildouts by country and region. Substituting land-intensive with land-sparing PV buildouts is most expensive in the United States ($950–1,030/kW by 2050) and cheapest in Brazil ($−70 – −60/kW, by 2050). Results point to the need to determine economic implications of global land-sparing opportunities and enact policies to support local implementation.","PeriodicalId":343,"journal":{"name":"Joule","volume":"38 1","pages":"102236"},"PeriodicalIF":39.8,"publicationDate":"2025-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145895734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-23DOI: 10.1016/j.joule.2025.102264
Chenyang Zhang, Yuteng Jia, Bingqian Zhang, Qiangqiang Zhao, Ruida Xu, Shuping Pang, Han Wang, Stefaan De Wolf, Kai Wang
Perovskite solar cells’ performance is critically governed by interfacial chemistry. Here, we combine correlation analysis, hierarchical clustering, and least absolute shrinkage and selection operator (LASSO) regression to optimize feature engineering, followed by employing LASSO and elastic net (ENET) regression to develop a screening model. A multifunctional buried interface molecule, (2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)phosphonic acid (BIPA), was successfully screened and synthesized. As expected, BIPA binds strongly with SnO2 through Sn···O–P coordination, effectively passivating Sn2+ dangling bonds and oxygen vacancies. The Fermi level was shifted upward, facilitating electron extraction. Besides, BIPA modulated crystallization dynamics and alleviated compressive strain through C=O···Pb interaction, enabling the growth of dense perovskite films. Consequently, the BIPA-modified device achieved an efficiency of 26.3%. Varied band-gap performance improvements (23.2% for 1.67 eV and 18.5% for 1.85 eV) further underscored the universality of this approach. Unencapsulated devices retained 91% and 92% of their initial efficiency after 1,600 h of International Summit on Organic Photovoltaic Stability (ISOS-L-1) protocol and 2,000 h of ISOS-D-2 protocol, respectively.
钙钛矿太阳能电池的性能在很大程度上取决于界面化学。本文结合相关分析、层次聚类、最小绝对收缩和选择算子（LASSO）回归对特征工程进行优化，然后利用LASSO和弹性网（ENET）回归建立筛选模型。成功筛选并合成了多功能埋藏界面分子（2-（1,3-二氧基- 1h -苯并异喹啉-2(3H)-酰基）乙基）膦酸（BIPA）。正如预期的那样，BIPA通过Sn··O-P配位与SnO2强结合，有效钝化Sn2+悬空键和氧空位。费米能级向上移动，有利于电子的提取。此外，BIPA通过C=O···Pb相互作用调节结晶动力学，减轻压缩应变，使钙钛矿薄膜生长致密。因此，bipa修饰装置的效率为26.3%。不同的带隙性能提高（1.67 eV为23.2%，1.85 eV为18.5%）进一步强调了这种方法的普遍性。未封装器件在iso - l -1国际峰会（International Summit on Organic Photovoltaic Stability, iso - l -1）协议和iso - d -2协议分别经过1600小时和2000小时后，仍保持91%和92%的初始效率。
{"title":"Machine learning-driven interface material design for high-performance perovskite solar cells with scalability and band-gap universality","authors":"Chenyang Zhang, Yuteng Jia, Bingqian Zhang, Qiangqiang Zhao, Ruida Xu, Shuping Pang, Han Wang, Stefaan De Wolf, Kai Wang","doi":"10.1016/j.joule.2025.102264","DOIUrl":"https://doi.org/10.1016/j.joule.2025.102264","url":null,"abstract":"Perovskite solar cells’ performance is critically governed by interfacial chemistry. Here, we combine correlation analysis, hierarchical clustering, and least absolute shrinkage and selection operator (LASSO) regression to optimize feature engineering, followed by employing LASSO and elastic net (ENET) regression to develop a screening model. A multifunctional buried interface molecule, (2-(1,3-dioxo-1<em>H</em>-benzo[<em>de</em>]isoquinolin-2(3H)-yl)ethyl)phosphonic acid (BIPA), was successfully screened and synthesized. As expected, BIPA binds strongly with SnO<sub>2</sub> through Sn···O–P coordination, effectively passivating Sn<sup>2+</sup> dangling bonds and oxygen vacancies. The Fermi level was shifted upward, facilitating electron extraction. Besides, BIPA modulated crystallization dynamics and alleviated compressive strain through C=O···Pb interaction, enabling the growth of dense perovskite films. Consequently, the BIPA-modified device achieved an efficiency of 26.3%. Varied band-gap performance improvements (23.2% for 1.67 eV and 18.5% for 1.85 eV) further underscored the universality of this approach. Unencapsulated devices retained 91% and 92% of their initial efficiency after 1,600 h of International Summit on Organic Photovoltaic Stability (ISOS-L-1) protocol and 2,000 h of ISOS-D-2 protocol, respectively.","PeriodicalId":343,"journal":{"name":"Joule","volume":"22 1","pages":""},"PeriodicalIF":39.8,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145813601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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