Energy & Environmental Science最新文献

{"title":"Mass-customization of organic photovoltaics and data production for machine learning models precisely predicting device behavior","authors":"Na Gyeong An, Leonard Ng Wei Tat, Yang Liu, Seyeong Song, Mei Gao, Yinhua Zhou, Changqi Ma, Zhixiang Wei, Jin Young Kim, Udo Bach, Doojin Vak","doi":"10.1039/d5ee02815a","DOIUrl":"https://doi.org/10.1039/d5ee02815a","url":null,"abstract":"High-throughput experimentation (HTE) combined with machine learning (ML) has emerged as a powerful tool to accelerate material discovery and optimize fabrication processes. However, in photovoltaics field, only a few studies have successfully applied this approach using industrially relevant techniques, roll-to-roll (R2R) process. We developed universal and extendable data structure for ML training that accommodates upcoming materials while retaining compatibility with existing dataset. Using MicroFactory platform, which enables mass-customization of organic photovoltaics (OPVs), we fabricated and characterized over 26,000 unique cells within four days. To guide selection of ML model for precisely predicting device behavior, photovoltaic parameter and <em>J</em>–<em>V</em> prediction models to forecast device parameters and <em>J</em>–<em>V</em> curves were developed, respectively. Random forest model proved most effective, achieving a PCE of 11.8% (0.025 cm²)—the highest record for fully R2R-fabricated OPVs. By integrating accumulated datasets with smaller new-component datasets, we enhanced model performance for PM6:Y6:IT-4F and PM6:D18:L8-BO systems, showing that models trained on binary systems can predict ternary performance and enabling the development of generalized ML models for future high-performance materials.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":"45 1","pages":""},"PeriodicalIF":32.5,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145059269","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}

{"title":"Freezing the p-i-n Interlayer with a Symmetric Phenolic Compound to Achieve Favorable Vertical Morphology and Efficient Pseudo-Planar Heterojunction Organic Solar Cells with Excellent Stability","authors":"Xunfan Liao, Zeng Li, Shiting Lai, Haojia Ding, Jinyang Yu, Yuang Fu, Peipei Zhu, Xinhui Lu, Haiming Zhu, Yiwang Chen","doi":"10.1039/d5ee04052c","DOIUrl":"https://doi.org/10.1039/d5ee04052c","url":null,"abstract":"Although achieving a suitable vertical phase separation morphology is essential for improving charge transport efficiency, reducing charge recombination, and ultimately boosting the efficiency of organic solar cells (OSCs), simple and effective methods to construct the ideal morphology with long-term stability remain lacking. Herein, 4,4'-Dihydroxybiphenyl (BPO) featuring bisphenol functional groups is introduced into the PM6/BTP-eC9 system as a donor modification layer to fabricate efficient and stable pseudo-planar heterojunction (PPHJ) OSCs. BPO with orthogonal solvent is spin-coated as an interlayer between donor and acceptor layers, effectively preventing the upper layer solution from washing away or damaging the underlying film. The surface energy of PM6 is altered by BPO, leading to a larger Flory-Huggins interaction parameter for PM6/BPO/BTP-eC9, favoring the formation of vertical phase separation morphology. Consequently, an outstanding efficiency of 20.03% was achieved for the PM6/BPO/L8-BO:BTP-eC9-based ternary device. Moreover, BPO can be utilized as morphological stabilizer to mitigate the rapid diffusional motion of donor and acceptor molecules, thereby stabilizing the metastable morphology of the p-i-n layer. Therefore, the PPHJ devices with BPO protective layer demonstrated excellent stability. This work presents a simple and effective strategy for optimizing vertical phase separation morphology and improving stability in PPHJ OSCs by freezing the p-i-n interlayer.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":"1 1","pages":""},"PeriodicalIF":32.5,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145059268","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}

{"title":"Correction: Deciphering the interplay between tin vacancies and free carriers in the ion transport of tin-based perovskites","authors":"Luis Huerta Hernandez, Luis Lanzetta, Anna M. Kotowska, Ilhan Yavuz, Nikhil Kalasariya, Badri Vishal, Marti Gibert-Roca, Matthew Piggott, David J. Scurr, Stefaan De Wolf, Martin Stolterfoht, Derya Baran","doi":"10.1039/d5ee90090e","DOIUrl":"https://doi.org/10.1039/d5ee90090e","url":null,"abstract":"Correction for ‘Deciphering the interplay between tin vacancies and free carriers in the ion transport of tin-based perovskites’ by Luis Huerta Hernandez <em>et al.</em>, <em>Energy Environ. Sci.</em>, 2025, <strong>18</strong>, 4787–4799, https://doi.org/10.1039/D5EE00632E.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":"87 1","pages":""},"PeriodicalIF":32.5,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145059374","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}

{"title":"A universal strategy toward homogenized metal oxide/perovskite contact for efficient solar cells and modules fabricated in ambient air","authors":"Zhenkun Zhu, Junjun Jin, Tonghui Guo, Zhongqiang Wang, Dawei Duan, Zhen Wang, Yuan Zhou, Lin Li, Yonggui Sun, Yuchen Zhang, Zhengyang Ke, Hanlin Hu, Jinhua Li, Qidong Tai","doi":"10.1039/d5ee04601g","DOIUrl":"https://doi.org/10.1039/d5ee04601g","url":null,"abstract":"Ambient-air fabrication of perovskite solar cells (PSCs) offers substantial advantages for scalable commercialization. However, ambient moisture promotes the formation of undesirable DMSO-based adducts that deteriorate perovskite (PVK) film crystallinity and lead to poor interfacial contact, particularly at the buried interface with the metal oxide (MO) charge transport layer, thereby compromising the device efficiency and stability. Here, we report a universal strategy employing hydrazide additives to effectively suppress the DMSO-based adducts by competitively coordinating with perovskite precursors, while simultaneously binding strongly with both the MO and PVK through Lewis acid-base interactions and hydrogen bonding. These interactions promote the removal of residual DMSO at the MO/PVK interface, leading to high-quality perovskite films with homogenized MO/PVK contact across a wide humidity range in ambient air and dual-side passivation that effectively suppresses interfacial recombination losses. As a result, the best-performed PSCs deliver power conversion efficiencies (PCEs) of 25.07% and 24.75% for the SnO<small>₂</small>-based regular and NiO<small>_x</small>-based inverted architectures, respectively, representing &gt;15% improvement over the reference devices. Notably, this homogenized MO/PVK contact is achieved without additional interfacial treatment, making it ideally suited for scalable device fabrication, as demonstrated by the mini perovskite solar modules (PSMs, 4.6 cm × 4.6 cm) attaining PCEs of 22.65% (regular) and 21.73% (inverted). The devices also show excellent operational stability under maximum power point tracking (MPPT) and enhanced resistance to light, thermal, and humidity stress under ISOS protocols. Additionally, this strategy shows excellent compatibility with the blade-coating technique, highlighting its strong potential for large-area PSM production.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":"27 1","pages":""},"PeriodicalIF":32.5,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145025789","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}

{"title":"Interfacial energy storage in aqueous zinc-ion batteries","authors":"Yuhang Dai, Chengyi Zhang, Xinyu Zhang, Peie Jiang, Jie Chen, Wei Zong, Sicheng Zheng, XUAN GAO, Tom Macdonald, Guanjie He","doi":"10.1039/d5ee03741g","DOIUrl":"https://doi.org/10.1039/d5ee03741g","url":null,"abstract":"Aqueous zinc-ion batteries (AZIBs) are attractive for large-scale energy storage due to their intrinsic safety, low cost, and environmental compatibility. However, the high charge-to-radius (q/r) ratio of Zn2+ leads to strong solvation and sluggish solid-state diffusion, which hinder efficient charge transport across solid-solid and solid-liquid interfaces. These limitations reduce both cycling stability and rate performances. In this review, we summarize interfacial transport regulation strategies, including solid–solid interfacial modulation via electrostatic fields, interfacial bonding, and ion-electron decoupling to enhance solid-state Zn2+ mobility. We further discuss solid–liquid interfacial desolvation regulation including water activity control, solvation structure tuning, and selective ion channels to migrate desolvation barriers. We also describe emerging mechanisms involving water dissociation at interfaces, where protons and hydroxide ions act as alternative charge carriers. These unconventional pathways can complement or even outperform traditional Zn2+ intercalation. Collectively, these interfacial strategies not only accelerate Zn2+ transport but also introduce new electrochemical phenomena that boost capacity and rate performances of AZIBs. Advancing the deliberate design and mechanistic understanding of such interfacial processes will be essential to unlocking the full potential of next-generation AZIBs.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":"15 1","pages":""},"PeriodicalIF":32.5,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145025792","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}

{"title":"Capturing Failure Mechanisms toward Rational Design of Reversible Vanadium Oxide-Based Zinc Batteries","authors":"Xuesong Xie, Yang Yang, Yifan Li, Rohit Sinha, Xuehai Tan, Keren Jiang, Minggang Xie, Yuxuan Xue, Ning Chen, Zhi Li","doi":"10.1039/d5ee03635f","DOIUrl":"https://doi.org/10.1039/d5ee03635f","url":null,"abstract":"Aqueous zinc ion batteries (ZIBs) attract increasing attention as alternative energy storage technologies due to safety and low cost. However, the continuous dissolution of active materials in vanadium oxide-based ZIBs has posed an unavoidable challenge. Here, we systematically investigate the dissolution mechanism driven by chemical and electrochemical processes using both ex-situ and in-situ techniques. Experimental and theoretical analyses revealed an excessive reduction in vanadium valence following H+ insertion at potentials above 1.0 V (vs. Zn2+/Zn), contributing to vanadium dissolution rather than Zn2+ insertion. Protons preferentially form monodentate coordination with oxygen, increasing local electron density around V atoms and facilitating 1s to higher-energy 3d electron transitions. This leads to a pronounced reduction in V-valence and V-O bond breakage. Specifically, interlayer-inserted H+ exhibits the highest dissolution energy due to its significant binding energy compared to Zn2+ and surface-inserted H+. As a proof of concept, without additives or cathode modifications, improvements in Zn/NH4V4O10 and Zn/V2O5 batteries were achieved by reducing the cut-off voltage or increasing current density at high voltage to directly inhibit H+ insertion or promote the favorable surface-dominant H+ insertion. Further evidence is substituted by H+-substituting cations (Na+, Li+), which deliver sustained cycling stability at 0.2 A g-1 and extended cycling up to 5000 cycles at 5 A g-1 in both battery systems. We contend that understanding failure mechanisms is imperative for the development of strategies rooted in fundamental principles.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":"39 1","pages":""},"PeriodicalIF":32.5,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017360","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}

{"title":"Bimolecular Amines Vapor Passivation for Efficient Perovskite Solar Cells Based on Blade-Coated FAPbI3","authors":"Cun Zhou, Weicheng Wang, Haotian Wu, Jinsen Zhang, Ying Zhou, Yao Wang, Gang Wu, Weifei Fu, Alex K. Y. Jen, Hongzheng Chen","doi":"10.1039/d5ee04570c","DOIUrl":"https://doi.org/10.1039/d5ee04570c","url":null,"abstract":"Formamidinium lead triiodide (FAPbI3)-based perovskite solar cells (PSCs) are highly promising due to the optimal bandgap and high efficiencies but suffer from instability and performance-limiting defects. Conventional solution-based passivation methods face challenges in surface uniformity and scalability. Here, a bimolecular amine vapor passivation (BAVP) strategy using 2-phenylethylamine (PEA) and ethylenediamine (EDA) is introduced to effectively passivate blade-coated FAPbI3 films fabricated under ambient low-humidity conditions, with excellent surface uniformity. PEA coordinates with Pb2+ to mitigate surface defects, while EDA reacts preferentially with FA+ , optimizing energy alignment at the perovskite/C 60 interface for enhanced charge extraction. Consequently, BAVP-treated PSCs achieve a champion efficiency of 25.2%. Remarkably, unencapsulated devices retain 99.4% of their initial efficiency after 2616 hours thermal aging at 85 °C in N2 (ISOS-D-2), and 97.5% after 500 thermal cycles (ISOS-T-1) in N2. Furthermore, perovskite solar modules (PSMs) fabricated with the BAVP method attain an efficiency of 21.3% over a total area of 6.25 cm², surpassing the 18.7% obtained using the traditional solution-based passivation. These results demonstrate the significant potential of the BAVP strategy in advancing the efficiency, stability and scalability of PSCs.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":"128 1","pages":""},"PeriodicalIF":32.5,"publicationDate":"2025-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145002979","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}

{"title":"Dispersion effect of chlorination induced intermolecular stacking optimization of small-molecule acceptor for high-performance organic solar cells","authors":"Kewei Hu, Yu Ge, Hang Yang, Yue Xu, Jiahao Qian, Xuncheng Zhu, Yue Wu, Chaohua Cui, Yongfang Li","doi":"10.1039/d5ee04322k","DOIUrl":"https://doi.org/10.1039/d5ee04322k","url":null,"abstract":"It is recognized that the introduction of chlorine substituent facilitates improving intermolecular interaction, while its intrinsic mechanism is still underexploited. This work demonstrates the significance of polarizable dispersion effect of chlorine substituent in optimizing the intermolecular π-π stacking of small-molecule acceptor. It is demonstrated that chlorination conducted on small molecule can enhance the polarizability along the direction parallel to the conjugated backbone, favoring dispersion-dominated molecular face-to-face packing. As a result, the chlorinated derivatives QX-Cl and QX-2Cl demonstrate more than two times higher electron mobility compared to that of chlorine-free analogue QX. On the other hand, the monochlorination conducted on QX molecule effectively improve the J-aggregation characteristic, resulting in the highest extinction coefficient among the three analogues. Therefore, the D18:QX-Cl-based device yielded a power-conversion efficiency (PCE) of 19.53%, with an exceptional fill factor (FF) of 82.88%, which is higher than that of the device based on D18:QX (PCE = 18.28%, FF = 79.91%). By using QX-Cl as a guest acceptor for D18:N3 system to optimize molecular packing and phase separation morphology, the ternary device demonstrates a notable PCE of 20.41%, which is a significant improvement with regard to the PCE of 19.12% for the D18:N3-based binary device.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":"43 1","pages":""},"PeriodicalIF":32.5,"publicationDate":"2025-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145002977","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}

{"title":"An Anion Outer-Regulated Electrolyte with Rapid Desolvation Effects Enables High-Voltage Lithium Metal Batteries†","authors":"Wenlong Cai, Qiujie He, Zhiwen Deng, Sicheng Miao, Ye Jia, Jianan Peng, Pengfei Xia, Changhaoyue Xu, Qiang Tang, Xuemei Zhang, Tiening Tan, Gaolong Zhu, Kaipeng Wu, Yongjin Fang, Yun Zhang","doi":"10.1039/d5ee03465e","DOIUrl":"https://doi.org/10.1039/d5ee03465e","url":null,"abstract":"Ion/solvent-solvent interactions have garnered extensive attention to construct anion-dominated solvation structure for high-voltage batteries. While it is acknowledged that the macroscopic dragging effect can reduce desolvation energy, there remains a significant gap in the in-depth analysis of the dynamic mechanisms underlying electron transfer. This deficiency hampers the ability to formulate high-performance electrolytes in a targeted and effective manner. In this study, we propose an anion outer-regulated electrolyte (AORE) by interfering with the electronic interactions between solvated anions and peripheral solvents to reconstruct the dynamic solvation structure and accelerate the desolvation process. Combining multispectral characterization and theoretical calculations, the deep electron transfer nature of the anionic drag effect is revealed, confirming that AORE can significantly enhance the lithium-ion transference number (0.8) and ion conductivity (8.24 mS cm−1), as well as the flame retardant properties. The assembled LiCoO2 || Li cell maintains a retention ratio of 90.41% capacity even after 600 cycles at a high voltage of 4.6 V, and the capacity loss of the pouch battery is only 8% after 100 cycles, which can successfully provide takeoff and hovering power for micro unmanned aerial vehicles. This study provides a new paradigm for advanced electrolyte design through molecular charge engineering strategies.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":"31 1","pages":""},"PeriodicalIF":32.5,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144995807","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}

{"title":"Phase-Stabilized GeTe with Optimized Interfaces for High-Performance Thermoelectric Energy Conversion","authors":"Kai Xu, Yuntian Fu, Wusheng Zuo, Meng Jiang, Xin Ai, Shun Wan, Hongyi Chen, Xiaofang Lu, Lianjun Wang, Qihao Zhang, Wan Jiang","doi":"10.1039/d5ee04065e","DOIUrl":"https://doi.org/10.1039/d5ee04065e","url":null,"abstract":"The practical deployment of GeTe-based thermoelectrics has long been constrained by phase instability at elevated temperatures and severe interfacial degradation due to chemical diffusion and thermal expansion mismatches. Previous efforts to stabilize the high-performance cubic phase often result in incomplete phase suppression or compromised transport properties, while conventional electrode interface strategies exhibit poor thermomechanical reliability and inconsistent diffusion barriers. Here, we present a fully stabilized cubic GeTe system through Mn-Sb co-doping, maintaining phase stability from 300 to 750 K while simultaneously optimizing carrier concentration and electronic/thermal transport properties. This material achieves a peak zT of 1.73 at 773 K and an average zT of 1.0 across the operating range. To address interfacial instability, we introduce a cobalt diffusion barrier via magnetron sputtering, ensuring uniform coverage, good thermomechanical robustness, and a low contact resistivity of 5.2 µΩ·cm2. These advancements enable GeTe-based thermoelectric modules with an efficiency of 12.2% under a 480 K temperature gradient. By integrating precise phase stabilization with robust interface engineering, this study provides a viable pathway for mid-temperature waste heat recovery and reliable thermoelectric energy conversion.","PeriodicalId":72,"journal":{"name":"Energy & Environmental Science","volume":"19 1","pages":""},"PeriodicalIF":32.5,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144995656","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}