Pub Date : 2026-02-09DOI: 10.1021/accountsmr.5c00280
Jingyi Tian,Yiqun Chen,Qiang Wu,Zheng Hu
ConspectusCarbon nanocages (CNCs) are a new type of composite topological carbon materials composed of nanoscale hollow cavities and subnanoscale through-channels. “Putative” CNCs were first observed decades ago as impurities in preparing fullerene/nanotubes by arc discharge of graphite electrodes. Different from the “star” nanocarbons like 0D fullerene, 1D carbon nanotubes, 2D graphene, and graphdiyne, CNCs remained overlooked for decades due to a cognitive blind spot regarding the core structural characteristics. Early research focused only on their hollow inner cavities while neglecting the shell-embedded microchannels, leading to misclassification such as “hollow carbon nanospheres” and “hollow carbon shell”. This fundamental oversight, compounded by the challenge of synthesizing pure samples, prevented the discovery of their unique properties. Ten years ago, our group invented the in situ magnesium oxide templating method which enabled the synthesis of high-purity, hierarchical CNCs (hCNCs) with composition easily regulated by doping. In hCNCs, individual nanocage units arrange into an ordered hierarchical network, interconnecting macropores, mesopores, and micropores. Access to pure hCNC samples and a correct structural understanding revealed three unique intrinsic properties/functions vital for energy applications, i.e., the topological confinement effect, efficient mass-charge synergistic transport, and high-efficiency utilization of active species. These discoveries established CNCs as a distinct and promising branch of carbon nanomaterials.In this Account, we summarize the core concept and characteristics and recent progress in energy-related applications of hCNCs based on their intrinsic properties. We first trace the historical evolution from impurities of putative CNCs observed 30 years ago to high-performance materials today, establishing an experimentally validated definition of CNCs as “composite topological carbon materials composed of nanoscale hollow cavities and sub-nanoscale through-channels”. The recent development of a series of hCNC variants with tunable structural parameters and dopants has laid a solid material foundation for probing their properties and functions. Subsequently, we detail the latest advances in energy applications enabled by hCNCs’ unique attributes. A key feature is the topological confinement effect exhibited by both the subnanoscale through-channels (shell-embedded micropores) and the nanoscale hollow cavities (mesopores), which allows precise regulation of material functions via micro-nano composite engineering. For instance, shallow micropores serve as ideal sites for stabilizing single-/oligo-atom metal catalysts; inner cavities can confine catalytic active species to tailor microenvironments for specific reactions or encapsulate electrode materials to enable “loss-free pulverization” for advanced energy storage. Furthermore, the multilevel porous conductive network of hCNCs facilitates efficient
{"title":"Hierarchical Carbon Nanocages: Unlocking New Opportunities to Energy Applications","authors":"Jingyi Tian,Yiqun Chen,Qiang Wu,Zheng Hu","doi":"10.1021/accountsmr.5c00280","DOIUrl":"https://doi.org/10.1021/accountsmr.5c00280","url":null,"abstract":"ConspectusCarbon nanocages (CNCs) are a new type of composite topological carbon materials composed of nanoscale hollow cavities and subnanoscale through-channels. “Putative” CNCs were first observed decades ago as impurities in preparing fullerene/nanotubes by arc discharge of graphite electrodes. Different from the “star” nanocarbons like 0D fullerene, 1D carbon nanotubes, 2D graphene, and graphdiyne, CNCs remained overlooked for decades due to a cognitive blind spot regarding the core structural characteristics. Early research focused only on their hollow inner cavities while neglecting the shell-embedded microchannels, leading to misclassification such as “hollow carbon nanospheres” and “hollow carbon shell”. This fundamental oversight, compounded by the challenge of synthesizing pure samples, prevented the discovery of their unique properties. Ten years ago, our group invented the in situ magnesium oxide templating method which enabled the synthesis of high-purity, hierarchical CNCs (hCNCs) with composition easily regulated by doping. In hCNCs, individual nanocage units arrange into an ordered hierarchical network, interconnecting macropores, mesopores, and micropores. Access to pure hCNC samples and a correct structural understanding revealed three unique intrinsic properties/functions vital for energy applications, i.e., the topological confinement effect, efficient mass-charge synergistic transport, and high-efficiency utilization of active species. These discoveries established CNCs as a distinct and promising branch of carbon nanomaterials.In this Account, we summarize the core concept and characteristics and recent progress in energy-related applications of hCNCs based on their intrinsic properties. We first trace the historical evolution from impurities of putative CNCs observed 30 years ago to high-performance materials today, establishing an experimentally validated definition of CNCs as “composite topological carbon materials composed of nanoscale hollow cavities and sub-nanoscale through-channels”. The recent development of a series of hCNC variants with tunable structural parameters and dopants has laid a solid material foundation for probing their properties and functions. Subsequently, we detail the latest advances in energy applications enabled by hCNCs’ unique attributes. A key feature is the topological confinement effect exhibited by both the subnanoscale through-channels (shell-embedded micropores) and the nanoscale hollow cavities (mesopores), which allows precise regulation of material functions via micro-nano composite engineering. For instance, shallow micropores serve as ideal sites for stabilizing single-/oligo-atom metal catalysts; inner cavities can confine catalytic active species to tailor microenvironments for specific reactions or encapsulate electrode materials to enable “loss-free pulverization” for advanced energy storage. Furthermore, the multilevel porous conductive network of hCNCs facilitates efficient ","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"247 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-06DOI: 10.1021/accountsmr.5c00234
Luca Gregori, Daniele Meggiolaro, Filippo De Angelis
Tin-halide perovskites (THPs) have emerged as an attractive low band-gap (≈1.3 eV) alternative to lead-halide perovskites (LHPs) in solar cell devices. Despite the large effort, the efficiency and stability of THPs are still sensibly lower than LHPs, mainly due to the elevated p-doping and the easy oxidation of Sn(II) to Sn(IV). In this Account, we review the theoretical advancements in the understanding of the key factors originating THP limitations and the strategies to be adopted to increase efficiency and stability. In the first part, the fundamental electronic properties of THPs are discussed by focusing on the role of the metal in modulating band alignment and electron−phonon interaction. Hence, the discussion moves to the analysis of the defect chemistry of THPs and the origin of the p-doping. This is originated by the high stability of acceptor defects (VSn2−, Ii−) which are not compensated by donor-type defects under typical growth conditions, leading to increased hole densities in the valence band. The increased p-doping, besides reducing the lifetimes of photo-generated carriers, has also a negative impact on the stability of THPs by triggering tin oxidation at the surface. Hence, we discuss practical stabilization strategies that have emerged from our computational studies. Working on composition, halide-alloying, e.g., the partial substitution of I with Br, and the doping with trivalent cations represent effective strategies to mitigate the p-doping through the stabilization of the VBM and the charge compensation of acceptor defects, without dramatically affecting the band gap of THPs. Surface passivation with 2D perovskite and n-dopant molecules, such as n-DMBI-H, is useful to preserve the long-term stability and the efficiency through the passivation of surface defects. Finally, the importance of additive engineering is outlined by discussing the mechanism of action of SnF2 and its role in controlling the p-doping through a selective removal of Sn(IV) species from the precursor solution. While significant challenges remain, we hope that these theoretical results may contribute to the development of the theoretical framework guiding experiments toward the development of stable and efficient tin perovskite solar cells
{"title":"Can We Make Tin Halide Perovskites Efficient and Stable?","authors":"Luca Gregori, Daniele Meggiolaro, Filippo De Angelis","doi":"10.1021/accountsmr.5c00234","DOIUrl":"https://doi.org/10.1021/accountsmr.5c00234","url":null,"abstract":"Tin-halide perovskites (THPs) have emerged as an attractive low band-gap (≈1.3 eV) alternative to lead-halide perovskites (LHPs) in solar cell devices. Despite the large effort, the efficiency and stability of THPs are still sensibly lower than LHPs, mainly due to the elevated p-doping and the easy oxidation of Sn(II) to Sn(IV). In this Account, we review the theoretical advancements in the understanding of the key factors originating THP limitations and the strategies to be adopted to increase efficiency and stability. In the first part, the fundamental electronic properties of THPs are discussed by focusing on the role of the metal in modulating band alignment and electron−phonon interaction. Hence, the discussion moves to the analysis of the defect chemistry of THPs and the origin of the p-doping. This is originated by the high stability of acceptor defects (V<sub>Sn</sub><sup>2−</sup>, I<sub>i</sub><sup>−</sup>) which are not compensated by donor-type defects under typical growth conditions, leading to increased hole densities in the valence band. The increased p-doping, besides reducing the lifetimes of photo-generated carriers, has also a negative impact on the stability of THPs by triggering tin oxidation at the surface. Hence, we discuss practical stabilization strategies that have emerged from our computational studies. Working on composition, halide-alloying, e.g., the partial substitution of I with Br, and the doping with trivalent cations represent effective strategies to mitigate the p-doping through the stabilization of the VBM and the charge compensation of acceptor defects, without dramatically affecting the band gap of THPs. Surface passivation with 2D perovskite and n-dopant molecules, such as n-DMBI-H, is useful to preserve the long-term stability and the efficiency through the passivation of surface defects. Finally, the importance of additive engineering is outlined by discussing the mechanism of action of SnF<sub>2</sub> and its role in controlling the p-doping through a selective removal of Sn(IV) species from the precursor solution. While significant challenges remain, we hope that these theoretical results may contribute to the development of the theoretical framework guiding experiments toward the development of stable and efficient tin perovskite solar cells","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"72 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-05DOI: 10.1021/accountsmr.5c00370
Swaroop Chakraborty
Figure 1. Transformation-first SSbD roadmap for emerging materials. The Viewpoint is mapped into five linked steps: commit-point signature, time-resolved release/speciation, sequence testing to generate trajectory maps, recoverability via deployable forms with ≥ 3 regeneration cycles and a release budget, and an MSI decision gate (PASS/REDESIGN/TARGETED TEST). Lower panels summarize the shift to decision-grade trajectories. (2026) Created in BioRender. Chakraborty, S. (2026) https://BioRender.com/ysqt2ti. <b>Functional unit and use context.</b> Define the service provided (e.g., milligram contaminant removed per gram material per cycle; catalytic turnovers per mass of active; antimicrobial log reduction per surface area) and identify plausible exposure routes during synthesis, use and end-of-life. This anchors sustainability metrics and hazard testing to a meaningful basis. <b>Commit-point screen.</b> Report the first-hours transformation signature in one relevant complex medium (a natural water with ionic strength and organic matter; serum-containing medium; or an application-relevant conditioning medium), including simple readouts such as aggregation behavior (e.g., sedimentation), surface charge, and early release. <b>Release kinetics</b>. Quantify metal/ligand/additive release over time (not just a single time point). Include at least one accelerated-stress condition that reveals worst-case leaching (oxidants, pH extremes, chelators), because stress tests are often where design-relevant differences become apparent. <b>Recoverability and regeneration</b>. Demonstrate how the material is retrieved (separation approach) and whether performance and release remain acceptable over repeated cycles. <b>Hazard flagging with fit-for-purpose assays</b>. Use a small panel of mechanistically informative assays matched to the use context. For water-sector materials, an aquatic model and chronic-relevant end points may be necessary even when acute lethality is absent. For reactive nanohybrids, oxidative stress and membrane integrity are often more design-informative than a single viability readout. Safe-by-design frameworks for nanomaterials emphasize iterative testing and redesign; the key is to ensure assays inform specific design changes rather than functioning as “after-the-fact” reporting. (28,29) Swaroop Chakraborty received his PhD in Bioengineering from the Indian Institute of Technology Gandhinagar (India) in 2020. Following four years of postdoctoral research at the University of Birmingham (UK), he started his independent career in 2025 as a UKRI Natural Environment Research Council (NERC) Independent Research Fellow. His research focuses on the chemical and structural transformations of engineered nanomaterials and other emerging materials, including metal–organic frameworks, and on translating these insights into Safe and Sustainable by Design strategies. S.C. acknowledges UKRI NERC Independent Research Fellowship (Grant number- NE/B000187/1) f
图1所示。转型优先的新兴材料SSbD路线图。视点被映射为五个相连的步骤：提交点签名、时间解决的发布/物种形成、生成轨迹图的序列测试、通过具有≥3个再生周期和发布预算的可部署表单的可恢复性，以及MSI决策门（通过/重新设计/目标测试）。下面的面板总结了向决策级轨迹的转变。（2026）在生物渲染中创建。Chakraborty， S. (2026) https://BioRender.com/ysqt2ti。功能单元和使用上下文。定义所提供的服务（例如，每个循环每克材料去除的污染物毫克数；每质量活性物质的催化转化率；每表面积的抗菌对数减少），并确定在合成、使用和使用寿命结束期间可能的暴露途径。这将可持续性指标和危害测试锚定在有意义的基础上。提交点屏幕。报告在一种相关复杂介质（具有离子强度和有机物质的天然水；含血清介质；或应用相关调理介质）中第一个小时的转化特征，包括简单的读数，如聚集行为（如沉淀）、表面电荷和早期释放。释放动力学。定量金属/配体/添加剂随时间的释放（不仅仅是一个时间点）。至少包括一个加速应力条件，以揭示最坏的浸出情况（氧化剂，pH值极端，螯合剂），因为压力测试通常是设计相关差异变得明显的地方。可恢复性和再生。演示材料是如何回收的（分离方法），以及在重复循环中性能和释放是否仍然可接受。危险标记与适合目的的分析。使用一组与使用环境相匹配的机械信息分析。对于水部门材料，即使没有急性致死，也可能需要水生模型和慢性相关终点。对于反应性纳米杂化体，氧化应激和膜完整性通常比单个活力读数更能提供设计信息。纳米材料的设计安全框架强调迭代测试和重新设计；关键是确保分析通知特定的设计更改，而不是作为“事后”报告。（28,29） Swaroop Chakraborty于2020年在印度甘地纳格尔的印度理工学院获得生物工程博士学位。在英国伯明翰大学进行了四年的博士后研究后，他于2025年作为英国自然环境研究委员会（NERC）独立研究员开始了他的独立职业生涯。他的研究重点是工程纳米材料和其他新兴材料（包括金属有机框架）的化学和结构转变，以及将这些见解转化为安全可持续的设计策略。S.C.感谢UKRI NERC独立研究奖学金（资助号- NE/B000187/1）对这项工作的支持。本文引用了其他29篇出版物。这篇文章尚未被其他出版物引用。
{"title":"A Transformation-First Roadmap for Safe and Sustainable Emerging Advanced Materials","authors":"Swaroop Chakraborty","doi":"10.1021/accountsmr.5c00370","DOIUrl":"https://doi.org/10.1021/accountsmr.5c00370","url":null,"abstract":"Figure 1. Transformation-first SSbD roadmap for emerging materials. The Viewpoint is mapped into five linked steps: commit-point signature, time-resolved release/speciation, sequence testing to generate trajectory maps, recoverability via deployable forms with ≥ 3 regeneration cycles and a release budget, and an MSI decision gate (PASS/REDESIGN/TARGETED TEST). Lower panels summarize the shift to decision-grade trajectories. (2026) Created in BioRender. Chakraborty, S. (2026) https://BioRender.com/ysqt2ti. <b>Functional unit and use context.</b> Define the service provided (e.g., milligram contaminant removed per gram material per cycle; catalytic turnovers per mass of active; antimicrobial log reduction per surface area) and identify plausible exposure routes during synthesis, use and end-of-life. This anchors sustainability metrics and hazard testing to a meaningful basis. <b>Commit-point screen.</b> Report the first-hours transformation signature in one relevant complex medium (a natural water with ionic strength and organic matter; serum-containing medium; or an application-relevant conditioning medium), including simple readouts such as aggregation behavior (e.g., sedimentation), surface charge, and early release. <b>Release kinetics</b>. Quantify metal/ligand/additive release over time (not just a single time point). Include at least one accelerated-stress condition that reveals worst-case leaching (oxidants, pH extremes, chelators), because stress tests are often where design-relevant differences become apparent. <b>Recoverability and regeneration</b>. Demonstrate how the material is retrieved (separation approach) and whether performance and release remain acceptable over repeated cycles. <b>Hazard flagging with fit-for-purpose assays</b>. Use a small panel of mechanistically informative assays matched to the use context. For water-sector materials, an aquatic model and chronic-relevant end points may be necessary even when acute lethality is absent. For reactive nanohybrids, oxidative stress and membrane integrity are often more design-informative than a single viability readout. Safe-by-design frameworks for nanomaterials emphasize iterative testing and redesign; the key is to ensure assays inform specific design changes rather than functioning as “after-the-fact” reporting. (28,29) Swaroop Chakraborty received his PhD in Bioengineering from the Indian Institute of Technology Gandhinagar (India) in 2020. Following four years of postdoctoral research at the University of Birmingham (UK), he started his independent career in 2025 as a UKRI Natural Environment Research Council (NERC) Independent Research Fellow. His research focuses on the chemical and structural transformations of engineered nanomaterials and other emerging materials, including metal–organic frameworks, and on translating these insights into Safe and Sustainable by Design strategies. S.C. acknowledges UKRI NERC Independent Research Fellowship (Grant number- NE/B000187/1) f","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122322","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-04DOI: 10.1021/accountsmr.5c00319
Liangliang Xu,Jian Zhou,Aliaksandr S. Bandarenka,Zhongfang Chen
ConspectusThe urgent transition to sustainable energy systems has intensified the search for advanced electrocatalysts that efficiently promote key reactions, including hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), carbon dioxide reduction reaction (CO2RR), and nitrogen reduction reaction (NRR). However, the enormous chemical and structural diversity among candidate materials makes traditional trial-and-error screening highly inefficient. Recent advances in data-driven discovery, especially descriptor-based strategies and machine learning (ML), are transforming this landscape. By combining high-throughput first-principles calculations, curated materials databases, and interpretable ML algorithms, researchers can systematically reveal quantitative relationships between structure and activity, identify promising catalyst candidates, and accelerate the design and screening of efficient catalytic systems. This Account highlights how computational modeling, ML algorithms, data mining techniques, and descriptor engineering (e.g., d-band center, eg orbital filling, and ionization energies), along with experimental verification, together provide a robust framework for rational catalyst development.In this Account, we survey recent progress in data-driven electrocatalyst discovery across the major energy conversion reactions. The integration of interpretable ML models, such as least absolute shrinkage and selection operator (LASSO), sure independence screening and sparsifying operator (SISSO), and subgroup discovery (SGD), with high-quality data sets enables the discovery of both global and local relationships between structure and activity, overcoming limitations in conventional models like volcano plots and linear scaling relations.Through a series of case studies, we demonstrate that the end-to-end, data-driven workflows enable rapid, reliable screening of large catalyst libraries, including single-atom and dual-atom motifs on two-dimensional (2D) materials, basal planes of 2D substrates, and metal–organic frameworks (MOFs). Together, descriptor-based design and interpretable ML not only yield mechanistic insights that guide experimental synthesis and optimization, but also establishes a new paradigm for catalyst discovery, paving the way for breakthroughs in sustainable energy technologies.
{"title":"Data-Driven Electrocatalyst Discovery: Recent Trends in Machine Learning Approaches and Descriptor-Based Design Principles","authors":"Liangliang Xu,Jian Zhou,Aliaksandr S. Bandarenka,Zhongfang Chen","doi":"10.1021/accountsmr.5c00319","DOIUrl":"https://doi.org/10.1021/accountsmr.5c00319","url":null,"abstract":"ConspectusThe urgent transition to sustainable energy systems has intensified the search for advanced electrocatalysts that efficiently promote key reactions, including hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), carbon dioxide reduction reaction (CO2RR), and nitrogen reduction reaction (NRR). However, the enormous chemical and structural diversity among candidate materials makes traditional trial-and-error screening highly inefficient. Recent advances in data-driven discovery, especially descriptor-based strategies and machine learning (ML), are transforming this landscape. By combining high-throughput first-principles calculations, curated materials databases, and interpretable ML algorithms, researchers can systematically reveal quantitative relationships between structure and activity, identify promising catalyst candidates, and accelerate the design and screening of efficient catalytic systems. This Account highlights how computational modeling, ML algorithms, data mining techniques, and descriptor engineering (e.g., d-band center, eg orbital filling, and ionization energies), along with experimental verification, together provide a robust framework for rational catalyst development.In this Account, we survey recent progress in data-driven electrocatalyst discovery across the major energy conversion reactions. The integration of interpretable ML models, such as least absolute shrinkage and selection operator (LASSO), sure independence screening and sparsifying operator (SISSO), and subgroup discovery (SGD), with high-quality data sets enables the discovery of both global and local relationships between structure and activity, overcoming limitations in conventional models like volcano plots and linear scaling relations.Through a series of case studies, we demonstrate that the end-to-end, data-driven workflows enable rapid, reliable screening of large catalyst libraries, including single-atom and dual-atom motifs on two-dimensional (2D) materials, basal planes of 2D substrates, and metal–organic frameworks (MOFs). Together, descriptor-based design and interpretable ML not only yield mechanistic insights that guide experimental synthesis and optimization, but also establishes a new paradigm for catalyst discovery, paving the way for breakthroughs in sustainable energy technologies.","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111126","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-02DOI: 10.1021/accountsmr.5c00291
Feng Qi,Yahui Liu,Zheng Tang,Zhishan Bo
ConspectusOrganic solar cells (OSCs), as one of the promising photovoltaic technologies, have garnered extensive attention. Thanks to the advancement in novel material development and the optimization of device engineering techniques, the power conversion efficiency (PCE) of OSCs has exceeded 20%, fully showcasing their immense potential for commercialization. Nevertheless, OSCs experience relatively substantial energy losses (0.5–0.6 eV) when compared to the high-performance inorganic solar cells, which consequently results in lower open-circuit voltages (Voc). Specially, the energy loss associated with the non-radiative recombination of charge carriers stands as the dominant energy-loss mechanism, severely hampering further improvement in photovoltaic performance. Inspired by the recent progress, we conduct a systematic investigation into non-radiative energy loss (ΔEnr) in OSCs and summarize the strategies we adopted to suppress such losses. These efforts have played a significant role in propelling the efficiency of OSCs beyond the critical threshold of 20%, marking a momentous milestone in the field.In this Account, we first discuss the mechanism of non-radiative recombination and point out the dynamic and optoelectronic properties of the singlet excited (S1) and charge-transfer (CT) states formed at the donor–acceptor interface has a great influence on the ΔEnr. Furthermore, the design rules of mitigating ΔEnr are summarized as follows: (1) Utilization of solid additives and ternary blend strategy–this can precisely control the molecular packing characteristics and optimize the morphological structure of the active layer. After these adjustments, the properties of the CT state are substantially improved, resulting in an effective reduction in ΔEnr. (2) Improvement of molecular planarity–this helps suppress molecular vibrations, reduce the reorganization energy, and simultaneously increase the photoluminescence quantum yield (PLQY) of the material. The synergistic action of these factors leads to a decrease in ΔEnr, thereby significantly enhancing the photovoltaic performance of the corresponding devices. (3) Incorporation of three-dimensional (3D) units into the acceptor–it can allow for effective regulation of its aggregation behavior and molecular packing. This, in consequence, suppresses the aggregation-caused quenching (ACQ) effect and thus raises the PLQY of the acceptor. (4) Halogenation treatment and side-chain engineering of polymer donors–these are effective methods to tune energy levels, reduce charge-transfer driving force at the donor–acceptor interface, and optimize dynamic properties of the S1 and CT states, which can efficiently reduce the ΔEnr. At the end of this Account, we provide the possible strategies from the perspective of molecular design and device engineering to suppress the ΔEnr and take the photovoltaic performance of OSCs to the next level.
{"title":"Suppressing Non-Radiative Energy Loss in Organic Solar Cells: Molecular Design and Device Engineering","authors":"Feng Qi,Yahui Liu,Zheng Tang,Zhishan Bo","doi":"10.1021/accountsmr.5c00291","DOIUrl":"https://doi.org/10.1021/accountsmr.5c00291","url":null,"abstract":"ConspectusOrganic solar cells (OSCs), as one of the promising photovoltaic technologies, have garnered extensive attention. Thanks to the advancement in novel material development and the optimization of device engineering techniques, the power conversion efficiency (PCE) of OSCs has exceeded 20%, fully showcasing their immense potential for commercialization. Nevertheless, OSCs experience relatively substantial energy losses (0.5–0.6 eV) when compared to the high-performance inorganic solar cells, which consequently results in lower open-circuit voltages (Voc). Specially, the energy loss associated with the non-radiative recombination of charge carriers stands as the dominant energy-loss mechanism, severely hampering further improvement in photovoltaic performance. Inspired by the recent progress, we conduct a systematic investigation into non-radiative energy loss (ΔEnr) in OSCs and summarize the strategies we adopted to suppress such losses. These efforts have played a significant role in propelling the efficiency of OSCs beyond the critical threshold of 20%, marking a momentous milestone in the field.In this Account, we first discuss the mechanism of non-radiative recombination and point out the dynamic and optoelectronic properties of the singlet excited (S1) and charge-transfer (CT) states formed at the donor–acceptor interface has a great influence on the ΔEnr. Furthermore, the design rules of mitigating ΔEnr are summarized as follows: (1) Utilization of solid additives and ternary blend strategy–this can precisely control the molecular packing characteristics and optimize the morphological structure of the active layer. After these adjustments, the properties of the CT state are substantially improved, resulting in an effective reduction in ΔEnr. (2) Improvement of molecular planarity–this helps suppress molecular vibrations, reduce the reorganization energy, and simultaneously increase the photoluminescence quantum yield (PLQY) of the material. The synergistic action of these factors leads to a decrease in ΔEnr, thereby significantly enhancing the photovoltaic performance of the corresponding devices. (3) Incorporation of three-dimensional (3D) units into the acceptor–it can allow for effective regulation of its aggregation behavior and molecular packing. This, in consequence, suppresses the aggregation-caused quenching (ACQ) effect and thus raises the PLQY of the acceptor. (4) Halogenation treatment and side-chain engineering of polymer donors–these are effective methods to tune energy levels, reduce charge-transfer driving force at the donor–acceptor interface, and optimize dynamic properties of the S1 and CT states, which can efficiently reduce the ΔEnr. At the end of this Account, we provide the possible strategies from the perspective of molecular design and device engineering to suppress the ΔEnr and take the photovoltaic performance of OSCs to the next level.","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"34 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146097926","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
As global competition in aerospace and hypersonic systems intensifies, the development of reliable high-temperature thermal structural materials has become increasingly critical. Carbon/carbon (C/C) composites are promising candidates for such applications due to their low density, low coefficient of thermal expansion, exceptional thermal shock resistance and excellent mechanical properties at elevated temperatures. However, their widespread use is limited by a pronounced tendency to oxidize in oxygen-containing environments above 370 °C, as well as susceptibility to mechanical erosion and ablation under extreme thermo-mechanical loads. To overcome these limitations, the introduction of silicon carbide (SiC) and ultrahigh temperature ceramics (UHTCs) into the carbon matrix has been identified as an effective approach for enhancing oxidation and ablation resistance of C/C composites.
{"title":"Chemical Liquid Vapor Deposition for High-Performance C/C Composites","authors":"Shenghong Wang, Qinchuan He, Jinhua Lu, Hejun Li, Xuemin Yin","doi":"10.1021/accountsmr.5c00305","DOIUrl":"https://doi.org/10.1021/accountsmr.5c00305","url":null,"abstract":"As global competition in aerospace and hypersonic systems intensifies, the development of reliable high-temperature thermal structural materials has become increasingly critical. Carbon/carbon (C/C) composites are promising candidates for such applications due to their low density, low coefficient of thermal expansion, exceptional thermal shock resistance and excellent mechanical properties at elevated temperatures. However, their widespread use is limited by a pronounced tendency to oxidize in oxygen-containing environments above 370 °C, as well as susceptibility to mechanical erosion and ablation under extreme thermo-mechanical loads. To overcome these limitations, the introduction of silicon carbide (SiC) and ultrahigh temperature ceramics (UHTCs) into the carbon matrix has been identified as an effective approach for enhancing oxidation and ablation resistance of C/C composites.","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"80 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146089406","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Cancer, responsible for approximately 16.8% of global mortality, remains one of the most formidable challenges to public health. Chemotherapy remains a mainstay of cancer treatment, utilizing small-molecule agents to inhibit tumor growth, invasion, and metastasis. Camptothecin (CPT) exhibits broad-spectrum antitumor activity; however, its clinical potential is severely limited by poor aqueous solubility, low stability, and insufficient tumor selectivity, which collectively restrict its bioavailability and therapeutic efficacy. Conventional formulations such as covalent chemical modifications, lipid encapsulations and PEGylated conjugates have been developed to address these issues but often suffer from short half-lives, low drug-loading capacities (<20%), instability under physiological conditions, and inadequate tumor accumulation.
{"title":"Translating Supramolecular Design Principles to Camptothecin for Precision and Targeted Cancer Therapy","authors":"Fengli Gao, Sravan Baddi, Xiaxin Qiu, Chuanliang Feng","doi":"10.1021/accountsmr.5c00301","DOIUrl":"https://doi.org/10.1021/accountsmr.5c00301","url":null,"abstract":"Cancer, responsible for approximately 16.8% of global mortality, remains one of the most formidable challenges to public health. Chemotherapy remains a mainstay of cancer treatment, utilizing small-molecule agents to inhibit tumor growth, invasion, and metastasis. Camptothecin (CPT) exhibits broad-spectrum antitumor activity; however, its clinical potential is severely limited by poor aqueous solubility, low stability, and insufficient tumor selectivity, which collectively restrict its bioavailability and therapeutic efficacy. Conventional formulations such as covalent chemical modifications, lipid encapsulations and PEGylated conjugates have been developed to address these issues but often suffer from short half-lives, low drug-loading capacities (<20%), instability under physiological conditions, and inadequate tumor accumulation.","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"261 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146089514","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-28DOI: 10.1021/accountsmr.5c00285
Chuanxiong Nie, Christian Zoister, Guoxin Ma, Rainer Haag
Vaccines and antivirals have been developed to combat virus infection, but they face the challenges of rapid and unpredictable virus mutations, which have been widely observed during COVID-19. An alternative approach is, therefore, highly needed as an additional tool to prevent virus infection. As the infection of a virus usually starts by binding to its receptor, preventing virus interaction with host cells has been considered as a promising method and has been explored by various multivalent polymeric structures. However, like small-molecule pharmaceuticals, these carefully engineered polymeric structures rarely sustain broad-spectrum efficacy, because viral proteins are morphologically diverse and evolve rapidly, enabling resistance to polymeric inhibitors through mutations in receptor-binding domains (RBDs). To address these challenges, our group developed and investigated a new class of virus inhibitors based on self-assembled supramolecules. These nanosystems are built by noncovalent conjugation of small molecules or oligomers through hydrophobic interactions, π-π stacking, hydrogen bonding, electrostatic interactions, and so on. By carefully balancing the molecular geometry and directional forces, nanostructures of different dimensions (nanofiber, nanodisk, nanosheet, nanomicelle, etc.) are obtained and functionalized with binding groups to virus spike proteins inspired by mucins, which are natural polymers forming the mucus hydrogel to prevent virus infection. By using different functional building blocks, it is possible to build heteromutlivalent nanostructures through noncovalent synthesis targeting multiple binding domains simultaneously. Distinct from covalent polymeric structures, the dynamic nature of self-assembled nanosystems allows functional groups to automatically locate complementary binding pockets on viral spike protein, thereby adapting to mutation-driven RBD changes through the adaptive presentation of binding moieties. Besides binding to virus spike protein, these nanosystems also provide steric shielding of virus particles to prevent virus interaction with host cells. These supramolecular nanosystems exhibit low toxicity and broad-spectrum antiviral activity against viruses that use distinct binding receptors, including herpes simplex virus (HSV; sulfate binding), SARS-CoV-2 (sulfate binding), and influenza A virus (IAV; sialic acid binding). To forward the application of these nanosystems, their stability should be carefully evaluated, as diverse factors in physiological conditions could affect the self-assembly of the supramolecules. Although they have been proven to be stable in cell culture conditions, a deep investigation into biological systems is still necessary. One approach to improved stability might be introducing additional reversible bonds. Besides, translating these systems will require comprehensive biosafety and bioactivity evaluation and continued chemical innovation. Collectively, these findings demonst
{"title":"Supramolecules for Pathogen Inhibition: From Polymers to Self-Assembled Nanosystems","authors":"Chuanxiong Nie, Christian Zoister, Guoxin Ma, Rainer Haag","doi":"10.1021/accountsmr.5c00285","DOIUrl":"https://doi.org/10.1021/accountsmr.5c00285","url":null,"abstract":"Vaccines and antivirals have been developed to combat virus infection, but they face the challenges of rapid and unpredictable virus mutations, which have been widely observed during COVID-19. An alternative approach is, therefore, highly needed as an additional tool to prevent virus infection. As the infection of a virus usually starts by binding to its receptor, preventing virus interaction with host cells has been considered as a promising method and has been explored by various multivalent polymeric structures. However, like small-molecule pharmaceuticals, these carefully engineered polymeric structures rarely sustain broad-spectrum efficacy, because viral proteins are morphologically diverse and evolve rapidly, enabling resistance to polymeric inhibitors through mutations in receptor-binding domains (RBDs). To address these challenges, our group developed and investigated a new class of virus inhibitors based on self-assembled supramolecules. These nanosystems are built by noncovalent conjugation of small molecules or oligomers through hydrophobic interactions, π-π stacking, hydrogen bonding, electrostatic interactions, and so on. By carefully balancing the molecular geometry and directional forces, nanostructures of different dimensions (nanofiber, nanodisk, nanosheet, nanomicelle, etc.) are obtained and functionalized with binding groups to virus spike proteins inspired by mucins, which are natural polymers forming the mucus hydrogel to prevent virus infection. By using different functional building blocks, it is possible to build heteromutlivalent nanostructures through noncovalent synthesis targeting multiple binding domains simultaneously. Distinct from covalent polymeric structures, the dynamic nature of self-assembled nanosystems allows functional groups to automatically locate complementary binding pockets on viral spike protein, thereby adapting to mutation-driven RBD changes through the adaptive presentation of binding moieties. Besides binding to virus spike protein, these nanosystems also provide steric shielding of virus particles to prevent virus interaction with host cells. These supramolecular nanosystems exhibit low toxicity and broad-spectrum antiviral activity against viruses that use distinct binding receptors, including herpes simplex virus (HSV; sulfate binding), SARS-CoV-2 (sulfate binding), and influenza A virus (IAV; sialic acid binding). To forward the application of these nanosystems, their stability should be carefully evaluated, as diverse factors in physiological conditions could affect the self-assembly of the supramolecules. Although they have been proven to be stable in cell culture conditions, a deep investigation into biological systems is still necessary. One approach to improved stability might be introducing additional reversible bonds. Besides, translating these systems will require comprehensive biosafety and bioactivity evaluation and continued chemical innovation. Collectively, these findings demonst","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"86 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146057023","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-23DOI: 10.1021/accountsmr.4c00364
Hyuck Mo Lee
<b>Interview with Prof. Hyuck Mo Lee: South Korea’s Vision for Basic Research and Materials Science</b> This interview is part of the “Materials Research in South Korea – A Virtual Special Issue” organized by Accounts of Materials Research, which highlights the growing impact and global engagement of Korea’s materials science community. In this conversation, we spoke with Prof. Hyuck Mo Lee to explore Korea’s evolving basic research policy and to understand the nation’s long-term vision for Materials Science. Prof. Lee is an emeritus professor of materials science and engineering at KAIST and the director general of basic research in science and engineering of Korea’s National Research Foundation (NRF). <b>EiC (Prof. Jiaxing Huang, Editor-in-Chief, Accounts of Materials Research):</b> As Director General of Korea’s National Research Foundation (NRF), you have overseen transformative changes in research funding. Why is basic research critical for a nation like Korea? <b>Prof. Lee:</b> Basic research is the bedrock of innovation. Korea’s support for basic research began in 1978 with Individual Research Grants and was formalized through the Basic Research Promotion Act in 1989. By 2026, our annual investment had grown to 3.35 trillion KRW, funding 24,500 projects, which is an investment fueling long-term educational and economic competitiveness. This is also a major mechanism in South Korea to support researchers for transforming their curiosity into potential solutions for global challenges like climate change or healthcare. <b>EiC:</b> The NRF plays a central role in enabling this mission. How does its structure drive innovation specifically? <b>Prof. Lee:</b> The NRF operates through specialized Program Managers (PMs)─470 experts across the natural sciences, engineering, information and communications technology, and convergence fields. These experts identify global research trends, design projects, and evaluate outcomes. For example, our Directorate for Basic Research relies on both full-time PMs and part-time Review Boards to ensure that proposals are not only merit-driven but also strategically aligned. This hybrid model balances researcher autonomy with national priorities. <b>EiC:</b> Materials science is critical to Korea’s “12 Strategic Technologies.” How does NRF prioritize it amid competing fields? <b>Prof. Lee:</b> Materials science underpins 8 of the 12 strategic fields─including semiconductors, batteries, biotechnology, quantum technology, and more. For example, our Group Research Grants fund materials-focused projects with up to 5 billion KRW per year for 10 years. Materials researchers also benefit from our Leader Grants (2.6% of our budget), enabling world-renowned scientists to pursue high-risk, high-reward work. We regard materials science as the backbone of national resilience. <b>EiC:</b> You mention a shift toward “top-down” research. How does this coexist with Korea’s strong bottom-up tradition? <b>Prof. Lee:</b> Historically
采访Hyuck Mo Lee教授：韩国对基础研究和材料科学的展望本访谈是由Accounts of Materials Research组织的“韩国材料研究-虚拟特刊”的一部分，该特刊突出了韩国材料科学界日益增长的影响力和全球参与度。在这次谈话中，我们与Hyuck Mo Lee教授探讨了韩国不断发展的基础研究政策，并了解了国家对材料科学的长期愿景。李教授是韩国科学技术院（KAIST）材料科学与工程名誉教授，也是韩国国立科学研究财团（NRF）科学与工程基础研究局长。EiC（黄嘉兴教授，《材料研究账目》主编）：作为韩国国家研究基金会（NRF）理事长，您见证了研究经费的变革。为什么基础研究对韩国这样的国家至关重要？▽李教授=基础研究是创新的基础。韩国的基础研究支援始于1978年的个人研究补助金，并于1989年通过《基础研究振兴法》正式确立。到2026年，每年的投资额将增加到3.35万亿韩元，资助2.45万个项目，这是促进长期教育和经济竞争力的投资。这也是韩国支持研究人员将他们的好奇心转化为气候变化或医疗保健等全球挑战的潜在解决方案的主要机制。EiC: NRF在实现这一使命方面发挥着核心作用。它的结构是如何驱动创新的？李教授：NRF通过专门的项目经理（pm）来运作──470名来自自然科学、工程、信息和通信技术以及融合领域的专家。这些专家确定全球研究趋势，设计项目并评估结果。例如，我们的基础研究理事会依赖于全职pm和兼职审查委员会，以确保提案不仅是价值驱动的，而且是战略一致的。这种混合模式平衡了研究人员的自主权和国家的优先事项。EiC：材料科学是韩国“12大战略技术”的核心。NRF如何在竞争激烈的领域中优先考虑它？李教授：在12个战略领域中，材料科学支撑着8个领域，包括半导体、电池、生物技术、量子技术等。例如，我们的集团研究补助金每年为以材料为重点的项目提供高达50亿韩元的资助，为期10年。材料研究人员也受益于我们的领导者资助（我们预算的2.6%），使世界知名的科学家能够从事高风险，高回报的工作。我们认为材料科学是国家恢复力的支柱。艾瑞克：你提到了向“自上而下”研究的转变。这如何与韩国强大的自下而上的传统共存？李教授：从历史上看，90%的资助是由研究者发起的（自下而上）。然而，当今快速发展的技术环境现在需要更多以任务为导向的方法。我们已经确定了12个对国家安全至关重要的战略领域（例如，人工智能、半导体）。研究人员仍然在这些领域提出自下而上的项目。这种混合模式平衡了创造力和战略重点。EiC：我们在本期关于太阳能电池和电池技术的文章中看到了这一点。NRF向″任务导向″研究的战略转变如何影响材料科学？▽李教授=考虑到12个关键领域中大部分都是材料密集型领域，预计这一战略转变将有利于材料科学。例如，专门的二次电池资助导致了Park教授文章中报道的突破。这种双重方法加速了现实世界的解决方案。EiC：让我们讨论一下融资机制。NRF的资助如何支持处于不同职业阶段的研究人员？李教授：我们根据不同的职业阶段来调整我们的资助：下一代资助：支持硕士/博士；学生和博士后，使他们摆脱经济限制，专注于研究。青年科学家资助：使早期职业研究人员能够解决高风险的长期项目（例如，10年计划）。整合者资助：支持处于职业生涯中期的科学家向独立领导者过渡。领导者资助：授权世界知名专家进行前沿研究。这种结构化的阶梯确保了从早期培训到培养全球领导力的持续人才发展。EiC: NRF的“支持下一代学者”是针对早期职业研究人员的。为什么这个项目是必不可少的？▽李教授=年轻研究员是颠覆性创新的动力。本项目资助硕士/博士研究生。学生和博士后，让他们摆脱经济压力。它还通过合作资助将他们与资深导师配对。此外，我们的青年科学家基金支持为期10年的项目，以应对重大挑战。 如果不赋予年轻人权力，韩国的研究生态系统就会停滞不前。EiC：韩国的融资模式有什么让国际读者感到惊讶的地方？*李教授：两件事：第一，我们的持续支持──有些资助长达10年。第二，我们强调支持早期职业科学家。青年科学家资助博士后从事高风险、探索性的材料项目。这期虚拟特刊中的钙钛矿太阳能电池研究就是这种支持的结果。EiC：对与韩国材料研究人员合作的国际学者有什么建议？李教授：利用我们的国际项目！我们积极资助全球伙伴关系──比如本期特刊中提到的固态电池的联合研究。随着韩国在材料领域优先推进“″First Mover″”战略，合作的大门将向世界各国的研究人员敞开。EiC：最后，是什么将这期特刊联系在一起？李教授：这显示了有针对性的资助如何促进创新。从纳米级生物材料到可持续能源解决方案，这些论文表明，战略投资──加上学术自由──推动了进步。这期特刊之所以特别有意义，是因为撰稿人的范围很广，汇集了新兴研究人员和知名科学家。这种主题和声音的多样性反映了韩国研究生态系统的实力，以及前面提到的NRF资助的“结构化阶梯”。我们很荣幸能与《材料研究报告》的全球观众分享韩国的发展历程。这篇文章尚未被其他出版物引用。
{"title":"The Basic Research Support System and Current Status of the National Research Foundation (NRF) of Korea","authors":"Hyuck Mo Lee","doi":"10.1021/accountsmr.4c00364","DOIUrl":"https://doi.org/10.1021/accountsmr.4c00364","url":null,"abstract":"<b>Interview with Prof. Hyuck Mo Lee: South Korea’s Vision for Basic Research and Materials Science</b> This interview is part of the “Materials Research in South Korea – A Virtual Special Issue” organized by Accounts of Materials Research, which highlights the growing impact and global engagement of Korea’s materials science community. In this conversation, we spoke with Prof. Hyuck Mo Lee to explore Korea’s evolving basic research policy and to understand the nation’s long-term vision for Materials Science. Prof. Lee is an emeritus professor of materials science and engineering at KAIST and the director general of basic research in science and engineering of Korea’s National Research Foundation (NRF). <b>EiC (Prof. Jiaxing Huang, Editor-in-Chief, Accounts of Materials Research):</b> As Director General of Korea’s National Research Foundation (NRF), you have overseen transformative changes in research funding. Why is basic research critical for a nation like Korea? <b>Prof. Lee:</b> Basic research is the bedrock of innovation. Korea’s support for basic research began in 1978 with Individual Research Grants and was formalized through the Basic Research Promotion Act in 1989. By 2026, our annual investment had grown to 3.35 trillion KRW, funding 24,500 projects, which is an investment fueling long-term educational and economic competitiveness. This is also a major mechanism in South Korea to support researchers for transforming their curiosity into potential solutions for global challenges like climate change or healthcare. <b>EiC:</b> The NRF plays a central role in enabling this mission. How does its structure drive innovation specifically? <b>Prof. Lee:</b> The NRF operates through specialized Program Managers (PMs)─470 experts across the natural sciences, engineering, information and communications technology, and convergence fields. These experts identify global research trends, design projects, and evaluate outcomes. For example, our Directorate for Basic Research relies on both full-time PMs and part-time Review Boards to ensure that proposals are not only merit-driven but also strategically aligned. This hybrid model balances researcher autonomy with national priorities. <b>EiC:</b> Materials science is critical to Korea’s “12 Strategic Technologies.” How does NRF prioritize it amid competing fields? <b>Prof. Lee:</b> Materials science underpins 8 of the 12 strategic fields─including semiconductors, batteries, biotechnology, quantum technology, and more. For example, our Group Research Grants fund materials-focused projects with up to 5 billion KRW per year for 10 years. Materials researchers also benefit from our Leader Grants (2.6% of our budget), enabling world-renowned scientists to pursue high-risk, high-reward work. We regard materials science as the backbone of national resilience. <b>EiC:</b> You mention a shift toward “top-down” research. How does this coexist with Korea’s strong bottom-up tradition? <b>Prof. Lee:</b> Historically","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"222 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146022079","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-13DOI: 10.1021/accountsmr.5c00283
Evan L. Cline, Hyuk-Jun Noh, Katherine A. Mirica
Metallophthalocyanine-based metal–organic frameworks (MPc-based MOFs) have recently emerged as a class of two-dimensional (2D) materials with unique tunability for control over both structural properties and growing applications. MPc-based MOFs possess a unique set of structural characteristics due to the combination of a two-dimensional, sheet-like, porous structure and a modular, bimetallic molecularly precise chemical composition that result in emergent properties, such as electrical conductivity, modular surface chemistry, and tunable stacking properties. This combination of physical, chemical, and structural modularity has led to the promising demonstrations of MPc-based MOFs within a wide range of applications, including chemical sensing, catalysis, energy storage, and magnetoresistivity. While recent research regarding structure–property relationships of these materials has significantly advanced this field, the exploration of this class of 2D conductive MOFs has been limited by factors including the synthetic accessibility of both the functionalized MPc monomer and the crystalline framework materials, as well as the lack of structural clarity due to limitations in producing sufficiently large ordered crystals suitable for single crystal X-ray diffraction. Systematic investigation of structure–property relationships, enabled by careful control over synthetic parameters and device integration techniques, are essential for advancing the fundamental understanding and capitalizing on the applied potential of this class of materials.
{"title":"Framing Function: Metallophthalocyanine-Based Metal–Organic Frameworks as Multifunctional Materials for Electrified Devices","authors":"Evan L. Cline, Hyuk-Jun Noh, Katherine A. Mirica","doi":"10.1021/accountsmr.5c00283","DOIUrl":"https://doi.org/10.1021/accountsmr.5c00283","url":null,"abstract":"Metallophthalocyanine-based metal–organic frameworks (MPc-based MOFs) have recently emerged as a class of two-dimensional (2D) materials with unique tunability for control over both structural properties and growing applications. MPc-based MOFs possess a unique set of structural characteristics due to the combination of a two-dimensional, sheet-like, porous structure and a modular, bimetallic molecularly precise chemical composition that result in emergent properties, such as electrical conductivity, modular surface chemistry, and tunable stacking properties. This combination of physical, chemical, and structural modularity has led to the promising demonstrations of MPc-based MOFs within a wide range of applications, including chemical sensing, catalysis, energy storage, and magnetoresistivity. While recent research regarding structure–property relationships of these materials has significantly advanced this field, the exploration of this class of 2D conductive MOFs has been limited by factors including the synthetic accessibility of both the functionalized MPc monomer and the crystalline framework materials, as well as the lack of structural clarity due to limitations in producing sufficiently large ordered crystals suitable for single crystal X-ray diffraction. Systematic investigation of structure–property relationships, enabled by careful control over synthetic parameters and device integration techniques, are essential for advancing the fundamental understanding and capitalizing on the applied potential of this class of materials.","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"96 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145956449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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