Accounts of materials research最新文献

{"title":"Harnessing Metal-Halide Layered Perovskite Structures for Next-Generation Lighting Sources","authors":"Balaji Dhanabalan, Milena P. Arciniegas","doi":"10.1021/accountsmr.5c00246","DOIUrl":"10.1021/accountsmr.5c00246","url":null,"abstract":"<p>Advances in nanoscale semiconductormaterials are enabling next-generationoptoelectronic technologies with unprecedented efficiency, spectralcontrol, and device miniaturization. Achieving this potential, however,requires the development of so-called <em>Triple E</em> materials,that is, systems that are environmentally friendly, economically inexpensive,and energetically efficient. Meeting these three criteria simultaneouslyremains a significant challenge. Metal-halide perovskites have emergedas remarkable semiconductors due to their strong optical absorption,high carrier mobility, long diffusion lengths, defect tolerance, andwidely tunable bandgaps. Despite these outstanding properties, theirlimited ambient and operational stability continues to constrain theirlarge-scale preparation and integration into robust devices.</p><p>Our research has focused on metal-halide layered perovskites, includingPb-free Sn-based analogues, as promising platforms to address theselimitations. In these materials, alternating organic and inorganiclayers form natural quantum wells that provide intrinsic electronicand dielectric confinement. This well-defined layered architectureenables tunable, broadband light emission from a single material component,without the need for multiple emissive layers. By avoiding complexmultilayer architectures, device fabrication is simplified while interfacialdefects, self-absorption effects, and differential degradation pathwaysare reduced. Moreover, the incorporation of bulky organic cationsfurther enhances environmental stability by increasing hydrophobicityand protecting the inorganic framework from moisture.</p><p>Beyondstructural protection, organic cations play an active rolein defining the optoelectronic response. Their size, functionality,and conformation influence octahedral distortions, interlayer spacing,and exciton binding energies. Importantly, we have also shown thatinteractions between organic cations and solvents during synthesiscan influence molecular conformation and octahedral connectivity,thereby directly modulating emission properties and charge transport.This solvent-cation interplay represents a largely unexplored avenuefor structural and photophysical tuning.</p><p>In this Account, weexpand upon these advances with a focus onRuddlesden–Popper organic–inorganic layered perovskitesand related structures as efficient and reconfigurable light emitters.We summarize synthetic and design strategies that exploit organiccation engineering and metal substitution to tailor emission acrossthe visible spectrum while addressing toxicity concerns through partialor complete replacement of Pb. The inherent structural versatilityof layered perovskites also allows their integration into flexiblesubstrates, reversibly modulating their emission through postsynthetictreatments or mechanical stimuli, broadening their functional scopetoward strain-controlled emission.</p><p>Looking forward, the convergenceof artificial intelligence (","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"7 4","pages":"341–353"},"PeriodicalIF":14.1,"publicationDate":"2026-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147585996","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}

{"title":"How Engineered Contacts Unlock the Potential of Two-Dimensional Gas Sensors","authors":"Yuxin Zhao, Wenjie Liang","doi":"10.1021/accountsmr.6c00060","DOIUrl":"10.1021/accountsmr.6c00060","url":null,"abstract":"","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"7 4","pages":"313–318"},"PeriodicalIF":14.1,"publicationDate":"2026-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147586700","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}

{"title":"Data-Driven Electrocatalyst Discovery: Recent Trends in Machine Learning Approaches and Descriptor-Based Design Principles","authors":"Liangliang Xu,&nbsp;Jian Zhou,&nbsp;Aliaksandr S. Bandarenka,&nbsp;Zhongfang Chen","doi":"10.1021/accountsmr.5c00319","DOIUrl":"10.1021/accountsmr.5c00319","url":null,"abstract":"<p>The urgent transition to sustainable energysystems has intensifiedthe search for advanced electrocatalysts that efficiently promotekey reactions, including hydrogen evolution reaction (HER), oxygenevolution reaction (OER), oxygen reduction reaction (ORR), carbondioxide reduction reaction (CO₂RR), and nitrogen reductionreaction (NRR). However, the enormous chemical and structural diversityamong candidate materials makes traditional trial-and-error screeninghighly inefficient. Recent advances in data-driven discovery, especiallydescriptor-based strategies and machine learning (ML), are transformingthis landscape. By combining high-throughput first-principles calculations,curated materials databases, and interpretable ML algorithms, researcherscan systematically reveal quantitative relationships between structureand activity, identify promising catalyst candidates, and acceleratethe design and screening of efficient catalytic systems. This Accounthighlights how computational modeling, ML algorithms, data miningtechniques, and descriptor engineering (e.g., d-band center, e_g orbital filling, and ionization energies), along with experimentalverification, together provide a robust framework for rational catalystdevelopment.</p><p>In this Account, we survey recent progress in data-drivenelectrocatalystdiscovery across the major energy conversion reactions. The integrationof interpretable ML models, such as least absolute shrinkage and selectionoperator (LASSO), sure independence screening and sparsifying operator(SISSO), and subgroup discovery (SGD), with high-quality data setsenables the discovery of both global and local relationships betweenstructure and activity, overcoming limitations in conventional modelslike volcano plots and linear scaling relations.</p><p>Through a seriesof case studies, we demonstrate that the end-to-end,data-driven workflows enable rapid, reliable screening of large catalystlibraries, including single-atom and dual-atom motifs on two-dimensional(2D) materials, basal planes of 2D substrates, and metal–organicframeworks (MOFs). Together, descriptor-based design and interpretableML not only yield mechanistic insights that guide experimental synthesisand optimization, but also establishes a new paradigm for catalystdiscovery, paving the way for breakthroughs in sustainable energytechnologies.</p>","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"7 3","pages":"294–308"},"PeriodicalIF":14.1,"publicationDate":"2026-03-27","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}

{"title":"Suppressing Non-Radiative Energy Loss in Organic Solar Cells: Molecular Design and Device Engineering","authors":"Feng Qi,&nbsp;Yahui Liu,&nbsp;Zheng Tang,&nbsp;Zhishan Bo","doi":"10.1021/accountsmr.5c00291","DOIUrl":"10.1021/accountsmr.5c00291","url":null,"abstract":"&lt;p&gt;Organic solar cells (OSCs),as one of the promising photovoltaictechnologies, have garnered extensive attention. Thanks to the advancementin novel material development and the optimization of device engineeringtechniques, the power conversion efficiency (PCE) of OSCs has exceeded20%, 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 inorganicsolar cells, which consequently results in lower open-circuit voltages(&lt;em&gt;V&lt;/em&gt;&lt;sub&gt;oc&lt;/sub&gt;). Specially, the energy loss associatedwith the non-radiative recombination of charge carriers stands asthe dominant energy-loss mechanism, severely hampering further improvementin photovoltaic performance. Inspired by the recent progress, we conducta systematic investigation into non-radiative energy loss (Δ&lt;em&gt;E&lt;/em&gt;&lt;sub&gt;nr&lt;/sub&gt;) in OSCs and summarize the strategies weadopted to suppress such losses. These efforts have played a significantrole in propelling the efficiency of OSCs beyond the critical thresholdof 20%, marking a momentous milestone in the field.&lt;/p&gt;&lt;p&gt;In thisAccount, we first discuss the mechanism of non-radiativerecombination and point out the dynamic and optoelectronic propertiesof the singlet excited (S&lt;sub&gt;1&lt;/sub&gt;) and charge-transfer (CT) statesformed at the donor–acceptor interface has a great influenceon the Δ&lt;em&gt;E&lt;/em&gt;&lt;sub&gt;nr&lt;/sub&gt;. Furthermore, the designrules of mitigating Δ&lt;em&gt;E&lt;/em&gt;&lt;sub&gt;nr&lt;/sub&gt; are summarizedas follows: (1) Utilization of solid additives and ternary blend strategy–thiscan precisely control the molecular packing characteristics and optimizethe morphological structure of the active layer. After these adjustments,the properties of the CT state are substantially improved, resultingin an effective reduction in Δ&lt;em&gt;E&lt;/em&gt;&lt;sub&gt;nr&lt;/sub&gt;. (2) Improvement of molecular planarity–this helps suppressmolecular vibrations, reduce the reorganization energy, and simultaneouslyincrease the photoluminescence quantum yield (PLQY) of the material.The synergistic action of these factors leads to a decrease in Δ&lt;em&gt;E&lt;/em&gt;&lt;sub&gt;nr&lt;/sub&gt;, thereby significantly enhancing the photovoltaicperformance of the corresponding devices. (3) Incorporation of three-dimensional(3D) units into the acceptor–it can allow for effective regulationof its aggregation behavior and molecular packing. This, in consequence,suppresses the aggregation-caused quenching (ACQ) effect and thusraises the PLQY of the acceptor. (4) Halogenation treatment and side-chainengineering of polymer donors–these are effective methods totune energy levels, reduce charge-transfer driving force at the donor–acceptorinterface, and optimize dynamic properties of the S&lt;sub&gt;1&lt;/sub&gt; andCT states, which can efficiently reduce the Δ&lt;em&gt;E&lt;/em&gt;&lt;sub&gt;nr&lt;/sub&gt;. At the end of this Account, we provide the possiblestrategies from the perspective of molecular design and device engineeringto suppress the Δ&lt;em&gt;E&lt;/em&gt;&lt;sub&gt;nr&lt;/s","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"7 3","pages":"249–262"},"PeriodicalIF":14.1,"publicationDate":"2026-03-27","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}

{"title":"Reactive Electrochemical Interphases (REI) as Active Materials: From Passive to Programmable Interfaces","authors":"Weilai Yu","doi":"10.1021/accountsmr.6c00033","DOIUrl":"10.1021/accountsmr.6c00033","url":null,"abstract":"","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"7 3","pages":"220–222"},"PeriodicalIF":14.1,"publicationDate":"2026-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146778355","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}

{"title":"Can We Make Tin Halide Perovskites Efficient and Stable?","authors":"Luca Gregori,&nbsp;Daniele Meggiolaro,&nbsp;Filippo De Angelis","doi":"10.1021/accountsmr.5c00234","DOIUrl":"10.1021/accountsmr.5c00234","url":null,"abstract":"<p>Tin-halide perovskites (THPs)have emerged as an attractive lowband-gap (≈1.3 eV) alternative to lead-halide perovskites (LHPs)in solar cell devices. Despite the large effort, the efficiency andstability of THPs are still sensibly lower than LHPs, mainly due tothe elevated p-doping and the easy oxidation of Sn­(II) to Sn­(IV).In this Account, we review the theoretical advancements in the understandingof the key factors originating THP limitations and the strategiesto be adopted to increase efficiency and stability. In the first part,the fundamental electronic properties of THPs are discussed by focusingon the role of the metal in modulating band alignment and electron−phononinteraction. Hence, the discussion moves to the analysis of the defectchemistry of THPs and the origin of the p-doping. This is originatedby the high stability of acceptor defects (V_Sn²⁻, I_i⁻) which are not compensated bydonor-type defects under typical growth conditions, leading to increasedhole densities in the valence band. The increased p-doping, besidesreducing the lifetimes of photo-generated carriers, has also a negativeimpact on the stability of THPs by triggering tin oxidation at thesurface. Hence, we discuss practical stabilization strategies thathave emerged from our computational studies. Working on composition,halide-alloying, e.g., the partial substitution of I with Br, andthe doping with trivalent cations represent effective strategies tomitigate the p-doping through the stabilization of the VBM and thecharge compensation of acceptor defects, without dramatically affectingthe band gap of THPs. Surface passivation with 2D perovskite and n-dopantmolecules, such as n-DMBI-H, is useful to preserve the long-term stabilityand the efficiency through the passivation of surface defects. Finally,the importance of additive engineering is outlined by discussing themechanism of action of SnF₂ and its role in controllingthe p-doping through a selective removal of Sn­(IV) species from theprecursor solution. While significant challenges remain, we hope thatthese theoretical results may contribute to the development of thetheoretical framework guiding experiments toward the development ofstable and efficient tin perovskite solar cells</p>","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"7 3","pages":"223–233"},"PeriodicalIF":14.1,"publicationDate":"2026-03-27","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}

{"title":"Nanoscale Colloidal Molecules and Colloidal Polymers: From Polymer-Grafted Nanoparticles to Functional Assemblies","authors":"Liwei Dai,&nbsp;Yutao Sang,&nbsp;Zhihong Nie","doi":"10.1021/accountsmr.5c00324","DOIUrl":"10.1021/accountsmr.5c00324","url":null,"abstract":"<p>The self-assembly of inorganicnanoparticles(NPs) endows the resultingassembles with unique collective optical, electrical, and magneticproperties beyond the individual NPs. Nanoscale colloidal molecules(CMs) and colloidal polymers (CPs), which use NPs as building blocksto mimic the structural features of conventional molecules and polymers,have attracted significant attention due to their extraordinary collectiveproperties, making them promising candidates for applications in sensing,catalysis, electronics, photonics, and energy harvesting. However,achieving precise nanoscale assembly of NPs into well-defined architecturessuch as CMs and CPs remains challenging. Polymer-grafted NPs (PGNPs),also known as hairy NPs, offer a versatile and practical platformfor constructing such assemblies due to their hybrid organic–inorganicnature. More importantly, polymers used as surface ligands offer severalkey advantages: (i) they provide a wide range of interactions, tunableresponsiveness, and excellent biocompatibility; (ii) their size iscomparable to that of NPs, providing improved control over the NPassembly; (iii) their long, flexible chains enhance the colloidalstability of both individual NPs and their assemblies; and (iv) theirintrinsic self-assemble behavior can enrich complexity and diversityof the final assemblies. Despite these benefits, challenges remainin developing precise and controllable strategies for assembling PGNPsinto well-defined CMs and CPs, as well as in fully understanding theunderlying formation mechanisms.</p><p>In this Account, we summarizerecent advances in the design andfabrication of CMs and CPs by employing PGNPs as building blocks.We begin by outlining the conformational behaviors of polymers cappedon the NP surfaces and the three typical synthetic approaches forPGNPs: “grafting to”, “grafting from”,and one-pot synthesis. In the second section, we present the directionalself-assembly of spherical PGNPs into CMs and CPs, with emphasis onthe manipulation of interparticle interactions, including chemicalreaction-induced recognitive interaction, electrostatic interaction,hydrogen bonding, and halogen bonding. The third section focuses onshape-anisotropic PGNPs and their unique self-assemble behavior. Inthe fourth section, we discuss the formation mechanisms of these assemblieswith the assist of the time-dependent experimental studies and computationalsimulations. The fifth section highlights strategies for preparingplasmonic CM superlattices and discuss their emerging collective properties.Finally, we discuss the current challenges in this field and offerperspectives on future research directions.</p>","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"7 3","pages":"275–286"},"PeriodicalIF":14.1,"publicationDate":"2026-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146184597","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}

{"title":"Machine Learning-Enhanced Multiscale Material Mechanics Modeling for Complex Alloys","authors":"Yi Yao,&nbsp;Jonathan Cappola,&nbsp;Kaushik Kethamukkala,&nbsp;Yucong Gu,&nbsp;Lin Li","doi":"10.1021/accountsmr.5c00242","DOIUrl":"10.1021/accountsmr.5c00242","url":null,"abstract":"<p>Structural materials at thefrontier of performance, such as high-entropyalloys (HEAs) and metallic glasses (MGs), derive their exceptionalproperties from disorder. Chemical disorder in HEAs and structuraldisorder in MGs both generate rugged energy landscapes that confoundconventional multiscale modeling, where the transfer of parametersacross scales often erases the essential local fluctuations that governstrength, ductility, and failure. Over the past decade, our grouphas sought to tame disorder through the integration of machine learning(ML) and physics-based mechanics, building data-driven frameworksthat remain anchored in mechanism and interpretability.</p><p>We addressedthis challenge in chemically complex refractory HEAsby developing machine learning interatomic potentials (ML-IAPs) thatreproduce quantum-mechanical accuracy for atomistic simulations ofdislocation processes. These potentials revealed how local chemicalordering, lattice distortion, and diffuse antiphase boundaries jointlycontrol the screw–edge slip discrepancy and the strength–ductilitytrade-off. To extend these insights to mesoscale thermodynamics, wedesigned a physics-informed graph neural network (PIGNN) that embedslattice symmetry into Monte Carlo sampling, accelerating the explorationof chemical ordering phenomena and further influencing their mechanicalbehaviors.</p><p>In parallel, we examined structurally disorderedMGs, where a mechanicalresponse arises from the activation of nanoscale shear transformationzones (STZs). Through ML-based outlier detection, we identified flowdefects directly from thousands of thermally activated events, providingan unbiased view of atomic-scale plasticity. Coupling these insightswith mesoscale STZ dynamics modeling and surrogate neural networks,we uncovered how elastic heterogeneity governs the organization ofSTZs into shear bands and how microstructural design, such as a dual-phaseamorphous architecture, can suppress strain localization and enhanceductility.</p><p>Across these two classes of disordered alloys, aunifying philosophyemerged: ML is most powerful not when replacing physics but when revealingthe hidden structure of disorder that physics alone cannot resolve.Integrating data-driven models with mechanistic frameworks enablesa predictive, interpretable, and transferable approach to materialsdesign. This Account reflects our research journey, its motivations,conceptual lessons, and evolving perspective on how data-driven andphysics-based approaches can operate synergistically to acceleratethe discovery of complex alloys in extreme environments.</p>","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"7 3","pages":"234–248"},"PeriodicalIF":14.1,"publicationDate":"2026-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146184355","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}

{"title":"Computational Modeling of Catalysis by MXenes: Key Aspects","authors":"Ángel Morales-García,&nbsp;Francesc Viñes,&nbsp;Francesc Illas","doi":"10.1021/accountsmr.5c00328","DOIUrl":"10.1021/accountsmr.5c00328","url":null,"abstract":"<p>The field of two-dimensional(2D) carbides and nitrides (MXenes)has increased by leaps and bounds since the isolation of Ti₃C₂T_<em>x</em>, the first MXene, in2011. MXenes offer high specific surface area and a unique electronicstructure leading to properties with a broad potential of applications.For instance, MXenes as heterogeneous catalysts may constitute a strategicresponse to the challenge posed by the scarcity and elevated costsof noble metals involved in many industrial catalysts. In fact, theexploration of MXenes in heterogeneous catalysis has opened new avenuesfor the application of these materials, expanding their role beyondtraditional material applications. This Account focuses on the explorationof MXenes as catalysts for the capture and conversion of CO₂ from a computational materials science perspective. It systematicallyreviews our contributions in first-principles modeling going beyondthe standard extended surface models. It starts by briefly discussingthe kinetic phase diagrams as a useful tool to predict the practicalconditions for CO₂ activation by on MXenes. The ease ofCO₂ activation and dissociation on MXenes makes them feasiblecatalysts for CO₂ conversion, for instance through thereverse water gas shift reaction. Progresses in this direction arediscussed in this Account including key aspects affecting the catalyticperformance of MXenes revealed by multiscale, mean-field kinetic,and kinetic Monte Carlo simulations. Overall, our computational strategycombining first-principles calculations, kinetic phase diagrams, andmultiscale modeling provides a workflow to scrutinize the catalyticcapability of new MXenes, shedding light into the predicted behavior,ultimately providing rational structure–property relationshipswhich drive experimentalists toward the best possible candidates.</p>","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"7 3","pages":"287–293"},"PeriodicalIF":14.1,"publicationDate":"2026-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146778811","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}

{"title":"NIR-II-Emitting Silver Chalcogenide Quantum Dots","authors":"Yejun Zhang,&nbsp;Hongchao Yang,&nbsp;Chunyan Li,&nbsp;Guangcun Chen,&nbsp;Jiang Jiang,&nbsp;Qiangbin Wang","doi":"10.1021/accountsmr.5c00300","DOIUrl":"10.1021/accountsmr.5c00300","url":null,"abstract":"<p>Colloidal quantum dots (QDs) in the second near-infrared(NIR-II,0.9–1.7 μm) window are enabling broader applicationsdue to their tunable bandgaps, scalable solution-phase synthesis,and compatibility with flexible substrates and micro-/nanoscale fabrication.The low scattering of NIR-II light permits deeper penetration in bothatmospheric and biological environments. Consequently, these QDs canbe incorporated into compact NIR-II systems for nocturnal surveillanceand autonomous driving scene perception, sustaining reliable operationunder adverse scenarios, such as haze and smoke. They can also actas NIR-II fluorescent probes for deep-tissue imaging, providing improvedspatiotemporal resolution owing to the greatly diminished scatteringof NIR-II radiation in biological tissues and the much lower autofluorescencebackground.</p><p>Silver chalcogenide QDs (Ag₂X, X = S,Se, or Te) displayboth excitation and emission within the NIR-II region. Their low solubilityproduct constants impart chemical stability and high photostability.Silver chalcogenide QDs are also considered more ecologically sustainableand have shown favorable biocompatibility. Our group first reportedAg₂S QDs exhibiting NIR-II fluorescence, followed by thesubsequent development of Ag₂Se and Ag₂Te. Drawingon our studies of silver chalcogenide QDs and insights into multiscalestructure–property correlations, this Account systematicallysummarizes approaches to improve optical performance via rationaldesign and precise synthetic control. Remaining challenges and futureprospects in this area are also examined with the aim to promote furtherrefinement and regulation of optical characteristics in silver chalcogenideQDs to satisfy demands in optoelectronics and biological fluorescenceimaging. We anticipate this Account will serve as a valuable referencefor research on the synthesis and optical properties of silver chalcogenideNIR-II QDs and their applications in photonic and bioimaging technologies.</p>","PeriodicalId":72040,"journal":{"name":"Accounts of materials research","volume":"7 3","pages":"263–274"},"PeriodicalIF":14.1,"publicationDate":"2026-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146152459","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}