ACS Applied Nano Materials最新文献

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Modulating Electronic Structure of Cobalt Ion Via MXene-Supported Mesoporous Carbon for Enhanced Nitrate Reduction and Ammonia Synthesis in Zn-NO3− Batteries mxene负载介孔碳调控钴离子电子结构促进Zn-NO3−电池中硝酸盐还原和氨合成
IF 5.8 2区 材料科学
ACS Applied Nano Materials Pub Date : 2026-10-09 Epub Date: 2026-09-27 DOI: 10.1021/acsanm.6c02787
Zhe Guo, Shuai Guo, Chen Wang, Qiuye Li, Leiming Tao
{"title":"Modulating Electronic Structure of Cobalt Ion Via MXene-Supported Mesoporous Carbon for Enhanced Nitrate Reduction and Ammonia Synthesis in Zn-NO3− Batteries","authors":"Zhe Guo,&nbsp;Shuai Guo,&nbsp;Chen Wang,&nbsp;Qiuye Li,&nbsp;Leiming Tao","doi":"10.1021/acsanm.6c02787","DOIUrl":"https://doi.org/10.1021/acsanm.6c02787","url":null,"abstract":"<p>The nitrate reduction reaction (NO<sub>3</sub>RR) is an eight-electron/nine-proton process that proceeds through multiple nitrogen-containing intermediates with distinct electronic and spin configurations. This intrinsic complexity poses a major challenge for the rational design of highly efficient electrocatalysts. Herein, we report an MXene-supported mesoporous carbon heterostructure containing dispersed Co species, denoted as MXene/MC-Co, in which support-Co interactions modify the local electronic environment of Co and its interactions with key adsorbed intermediates. As a result, the MXene/MC-Co catalyst delivers an ammonia yield rate of 5500 μg h<sup>−1</sup> mg<sub>cat</sub>.<sup>−1</sup> with a Faradaic efficiency of 80.12% for NO<sub>3</sub>RR. Furthermore, a Zn−NO<sub>3</sub><sup>−</sup> battery assembled with MXene/MC-Co as the cathode achieves a high power density of 8 mW cm<sup>−2</sup> and a Faradaic efficiency of 87.4% at a current density of 12 mA cm<sup>−2</sup>, enabling simultaneous ammonia synthesis and electrical energy output. This work demonstrates a support-engineering strategy for tuning the local electronic environment of metal species and highlights the role of metal−support interactions in promoting nitrate electroreduction.</p>","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"9 40","pages":"18520–18529"},"PeriodicalIF":5.8,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149152973","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Temperature- and pH-Responsive Pickering Emulsions Stabilized by Chitosan−Metal Nanogels for Esterification Catalysis 壳聚糖-金属纳米凝胶稳定的温度和ph响应酸洗乳用于酯化催化
IF 5.8 2区 材料科学
ACS Applied Nano Materials Pub Date : 2026-10-09 Epub Date: 2026-09-25 DOI: 10.1021/acsanm.6c02487
Qi Ao, Mengmeng Dong, Lin Jiang
{"title":"Temperature- and pH-Responsive Pickering Emulsions Stabilized by Chitosan−Metal Nanogels for Esterification Catalysis","authors":"Qi Ao,&nbsp;Mengmeng Dong,&nbsp;Lin Jiang","doi":"10.1021/acsanm.6c02487","DOIUrl":"https://doi.org/10.1021/acsanm.6c02487","url":null,"abstract":"<p>In recent years, Pickering emulsions have been successfully applied in interfacial reaction systems due to their unique interfacial stability. The effective separation of products and the efficient recovery of catalysts and emulsions are key considerations in the design and development of Pickering emulsion systems. Here, we synthesized chitosan-based amphiphilic microgels whose functional groups can bind to metals through coordination. The poly(<em>N</em>-isopropyl acrylamide) (PNIPAM) contains a temperature-sensitive group, which could show hydrophilicity at a low temperature and display hydrophobicity at a high temperature. Meanwhile, its ligands (such as carboxyl groups) can respond to pH changes through protonation and deprotonation: at low pH, protonation increases hydrophilicity and surface charge, while at high pH, deprotonation reduces the charge and increases hydrophobicity, thereby altering the surface activity of the particles and enabling pH-controlled emulsification. In ethyl acetate catalytic application, the reactants (ethanol and acetic acid) are dissolved in the aqueous phase, while the product, ethyl acetate, is dissolved in the organic phase (toluene). Porcine pancreatic lipase (PPL) supported on a microgel catalyzes the esterification reaction, while co-loaded Zn<sup>2+</sup> stabilizes the enzyme’s conformation. The synergistic action of these two components enables the efficient synthesis of ethyl acetate. Finally, the reactants and products could separate with the separation of water and toluene, and the catalysts could be recycled. In conclusion, these catalysts provide a method for Pickering emulsions and ester catalysis.</p>","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"9 40","pages":"18430–18437"},"PeriodicalIF":5.8,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149153137","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design of pH-Tunable Reversible DNA Nanostructures for Efficient Drug Delivery 设计ph可调的可逆DNA纳米结构,用于有效的药物递送
IF 5.8 2区 材料科学
ACS Applied Nano Materials Pub Date : 2026-10-09 Epub Date: 2026-09-25 DOI: 10.1021/acsanm.6c03459
Jagadeesh Sathiri, A. Murali Krishna, Ashwani Sharma
{"title":"Design of pH-Tunable Reversible DNA Nanostructures for Efficient Drug Delivery","authors":"Jagadeesh Sathiri,&nbsp;A. Murali Krishna,&nbsp;Ashwani Sharma","doi":"10.1021/acsanm.6c03459","DOIUrl":"https://doi.org/10.1021/acsanm.6c03459","url":null,"abstract":"<p>The development of stimuli-responsive nanocarriers has emerged as a promising strategy for improving the precision and efficacy of drug delivery systems. Among these, DNA nanostructures offer unique advantages owing to their inherent programmability, biocompatibility, and precise structural tunability. Although three-dimensional DNA nanostructures, such as DNA tetrahedrons, have been reported to undergo pH-driven disassembly for applications in drug delivery and cargo protein release, their structural design permits only partial disassembly and impedes reversible regulation, thereby limiting their broader applications. Here, we report the rational design of a pH-tunable DNA tetrahedron (pHT<sub>d</sub>) through the strategic incorporation of an i-motif, enabling assembly at physiological pH and disassembly under acidic conditions, thereby exhibiting reversible structural transitions in response to pH changes. The pHT<sub>d</sub> displayed promising serum stability with negligible cytotoxicity. Furthermore, pHT<sub>d</sub> loaded with the anticancer drug Doxorubicin (Dox) exhibited enhanced cytotoxicity compared with free Dox, accompanied by efficient cellular uptake, highlighting its potential as a smart drug delivery platform. In addition, we demonstrate DNA nanostructures including a tetrahedron (pHT<sub>d</sub>-2), a triangle (pHT), and a square (pHS) that exhibit contrasting pH-responsive behaviors, collectively representing a Janus-like system with opposite structural responses to a common pH stimulus. Collectively, this work establishes a general framework for engineering reversible pH-responsive DNA nanostructures and broadens their potential applications in targeted drug delivery, bioimaging, and logic-gated nanodevices.</p>","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"9 40","pages":"18857–18865"},"PeriodicalIF":5.8,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149153129","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Defect-Rich O−MoS2/NiFe-Layered Double Hydroxide/Multiwalled Carbon Nanotube Heterostructure for Overall Water Splitting 富缺陷O−MoS2/ nife层状双氢氧化物/多壁碳纳米管异质结构的整体水分解
IF 5.8 2区 材料科学
ACS Applied Nano Materials Pub Date : 2026-10-09 Epub Date: 2026-09-25 DOI: 10.1021/acsanm.6c01958
Kalaiselvi Arjunan, Prasanna Kumar V, Maiyalagan Thandavarayan
{"title":"A Defect-Rich O−MoS2/NiFe-Layered Double Hydroxide/Multiwalled Carbon Nanotube Heterostructure for Overall Water Splitting","authors":"Kalaiselvi Arjunan,&nbsp;Prasanna Kumar V,&nbsp;Maiyalagan Thandavarayan","doi":"10.1021/acsanm.6c01958","DOIUrl":"https://doi.org/10.1021/acsanm.6c01958","url":null,"abstract":"<p>The development of high-performance bifunctional electrocatalysts for water splitting is vital for sustainable hydrogen evolution. Herein, an oxygen-incorporated MoS<sub>2</sub>/NiFe-layered double hydroxide (LDH)/multiwalled carbon nanotube (MWCNT) heterostructure with abundant defect sites was rationally designed and synthesized to enhance the electrocatalytic performance toward both the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). X-ray photoelectron spectroscopy (XPS) reveals mixed-valence states and binding-energy shifts, indicating strong interfacial electronic interactions, while electron paramagnetic resonance (EPR) and Raman spectroscopy confirm the presence of defect sites and enhanced structural disorder. These features facilitate charge transfer and optimize the adsorption of reaction intermediates. As a result, the optimized catalyst delivers excellent oxygen evolution reaction (OER) activity with a low overpotential of 204 mV at 10 mA/cm<sup>2</sup> and a small Tafel slope of 57 mV dec<sup>−1</sup>, along with excellent hydrogen evolution reaction (HER) performance requiring only 159 mV at 10 mA/cm<sup>2</sup>. Remarkably, the catalyst demonstrates exceptional durability with stable 72 h operation for both OER and HER and enables efficient overall water splitting at a low cell voltage of 1.58 V for over 100 h of continuous electrolysis. The overall performance is attributed to the synergistic effect of defect engineering and electronic modulation, making this heterostructure a promising candidate for efficient and durable water-splitting applications.</p>","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"9 40","pages":"18362–18375"},"PeriodicalIF":5.8,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149153078","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
DFT Study of Triaxial Magnetic Anisotropy and Strain-Induced Easy-Axis Switching in Ferromagnetic CrTe3 Monolayer for Spintronic Applications 用于自旋电子应用的铁磁CrTe3单层三轴磁各向异性和应变诱导易轴开关的DFT研究
IF 5.8 2区 材料科学
ACS Applied Nano Materials Pub Date : 2026-10-09 Epub Date: 2026-09-26 DOI: 10.1021/acsanm.6c03640
Yaxuan Jiao, Chaoran Niu, Yihang Bai, He Sun, Jiaqi Li, Xinwei Guan, Bing Wang, Yungeng Zhang
{"title":"DFT Study of Triaxial Magnetic Anisotropy and Strain-Induced Easy-Axis Switching in Ferromagnetic CrTe3 Monolayer for Spintronic Applications","authors":"Yaxuan Jiao,&nbsp;Chaoran Niu,&nbsp;Yihang Bai,&nbsp;He Sun,&nbsp;Jiaqi Li,&nbsp;Xinwei Guan,&nbsp;Bing Wang,&nbsp;Yungeng Zhang","doi":"10.1021/acsanm.6c03640","DOIUrl":"https://doi.org/10.1021/acsanm.6c03640","url":null,"abstract":"<p>Magnetic anisotropy is essential for stabilizing long-range magnetic order against thermal fluctuations in two-dimensional (2D) materials. However, the precise interplay between magnetic anisotropy and electronic structure in many emerging 2D magnetic semiconductors remains poorly understood. In this work, we systematically investigate the electronic structure and magnetic properties of the CrTe<sub>3</sub> monolayer using first-principles density functional theory calculations. Our results identify the CrTe<sub>3</sub> monolayer as a ferromagnetic semiconductor with an indirect band gap of 0.45 eV, exhibiting a distinctive triaxial magnetic anisotropy. Further analysis demonstrates that this anisotropy originates from the combined contributions of magnetic dipole−dipole interactions (shape anisotropy) and spin−orbit coupling (magnetocrystalline anisotropy). Importantly, we show that the easy magnetization axis can be effectively manipulated and even switched by applying external strain, with the most dramatic response observed under uniaxial tensile strain along the <em>y</em>-direction. Monte Carlo simulations yield a Curie temperature of 134 K for the pristine monolayer, which can be further enhanced under applied strain. Our work not only elucidates the microscopic origin of triaxial magnetic anisotropy in the CrTe<sub>3</sub> monolayer but also provides a comprehensive understanding of strain-mediated magnetic control in 2D ferromagnetic semiconductors.</p>","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"9 40","pages":"18951–18958"},"PeriodicalIF":5.8,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149153086","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Gas-Phase Photocatalytic Nitrogen Conversion over Nanostructured Metal-Modified Fe2O3: The Role of Surface Chemistry, Band Alignment, and Hydrogen Activation 纳米结构金属修饰Fe2O3上气相光催化氮转化:表面化学、能带对准和氢活化的作用
IF 5.8 2区 材料科学
ACS Applied Nano Materials Pub Date : 2026-10-09 Epub Date: 2026-09-25 DOI: 10.1021/acsanm.6c03289
Esteban Camú, Claudio Araya-López, Claudio Contreras-Díaz, Juan Seguel, César Pazo-Carballo, Elodie Blanco, Lorena Barrientos, Victoria Melín, David Contreras, Marcos Flores, Francisco Gracia, Néstor Escalona
{"title":"Gas-Phase Photocatalytic Nitrogen Conversion over Nanostructured Metal-Modified Fe2O3: The Role of Surface Chemistry, Band Alignment, and Hydrogen Activation","authors":"Esteban Camú,&nbsp;Claudio Araya-López,&nbsp;Claudio Contreras-Díaz,&nbsp;Juan Seguel,&nbsp;César Pazo-Carballo,&nbsp;Elodie Blanco,&nbsp;Lorena Barrientos,&nbsp;Victoria Melín,&nbsp;David Contreras,&nbsp;Marcos Flores,&nbsp;Francisco Gracia,&nbsp;Néstor Escalona","doi":"10.1021/acsanm.6c03289","DOIUrl":"https://doi.org/10.1021/acsanm.6c03289","url":null,"abstract":"<p>Photocatalytic nitrogen conversion over iron oxide-based materials remains challenging, particularly under gas-phase conditions, where reaction pathways and product distributions are poorly understood. Herein, nanostructured Fe<sub>2</sub>O<sub>3</sub> and metal-modified Fe<sub>2</sub>O<sub>3</sub> photocatalysts (M = Ni, Cu, Mo, Ru, and Pt) were investigated for gas-phase photocatalytic nitrogen conversion under visible-light irradiation in N<sub>2</sub>/H<sub>2</sub> mixtures. The materials were characterized by BET, X-ray diffraction, X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and UV−vis DRS to examine relationships between phase composition, surface chemistry, electronic structure, and photocatalytic response. Although samples retained hematite as the crystalline phase and displayed similar optical band gaps, metal incorporation produced distinct secondary phases, surface chemical environments, and band-edge positions. Among the catalysts, Mo/Fe<sub>2</sub>O<sub>3</sub> showed the highest NH<sub>3</sub> formation after prolonged irradiation, whereas Ni/Fe<sub>2</sub>O<sub>3</sub> displayed a quasi-steady-state behavior. Pt/Fe<sub>2</sub>O<sub>3</sub> exhibited a distinct response, with the detection of N<sub>2</sub>H<sub>4</sub> suggesting hydrogenation-favored pathways, consistent with the presence of surface-accessible Pt<sup>0</sup> species. In contrast, Cu/Fe<sub>2</sub>O<sub>3</sub> showed limited NH<sub>3</sub> formation, in agreement with its lower H<sub>2</sub> consumption and less favorable hydrogenation behavior under the applied conditions. Overall, the results indicate that gas-phase photocatalytic nitrogen conversion over nanostructured metal-modified Fe<sub>2</sub>O<sub>3</sub> cannot be explained by a single unified band-alignment framework but rather by the combined influence of phase composition, surface oxygen chemistry, electronic structure, and the balance between N<sub>2</sub> and H<sub>2</sub> activation.</p>","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"9 40","pages":"18764–18782"},"PeriodicalIF":5.8,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149153090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
SnSx/SrTiO3 Nanocomposites for Solar-to-Hydrogen Conversion 用于太阳能制氢的SnSx/SrTiO3纳米复合材料
IF 5.8 2区 材料科学
ACS Applied Nano Materials Pub Date : 2026-10-09 Epub Date: 2026-09-30 DOI: 10.1021/acsanm.6c03394
Sivagowri Shanmugaratnam, Mark Chalupa, Shivatharsiny Yohi, Dhayalan Velauthapillai
{"title":"SnSx/SrTiO3 Nanocomposites for Solar-to-Hydrogen Conversion","authors":"Sivagowri Shanmugaratnam,&nbsp;Mark Chalupa,&nbsp;Shivatharsiny Yohi,&nbsp;Dhayalan Velauthapillai","doi":"10.1021/acsanm.6c03394","DOIUrl":"https://doi.org/10.1021/acsanm.6c03394","url":null,"abstract":"<p>Large-scale application of direct solar-to-hydrogen technology requires cost-effective and readily available base materials for photocatalysis. Perovskite materials are currently undergoing extensive research aimed at enabling widespread use at a low cost, making compounds like SrTiO<sub>3</sub> promising candidates as base materials for large-scale photocatalysts. In this study, we focused on the hydrothermal synthesis of tin sulfide (SnS<sub><em>x</em></sub>) embedded on SrTiO<sub>3</sub> to form nanocomposites with varying weight percentages (5%, 10%, 15%, and 20% wt) for photocatalytic hydrogen production. The nanocomposites were characterized using X-ray diffraction and scanning electron microscopy to confirm the formation of SnS<sub><em>x</em></sub> on SrTiO<sub>3</sub>. Photocatalytic hydrogen production experiments were conducted under 4 h of simulated solar illumination. The optimum hydrogen production was achieved with 10% wt SrTiO<sub>3</sub>/SnS<sub><em>x</em></sub> (273.1 μmol g<sup>−1</sup> h<sup>−1</sup>) compared to 54.4 μmol g<sup>−1</sup> h<sup>−1</sup> for pure SrTiO<sub>3</sub>. In contrast, pure tin sulfide showed no photocatalytic activity due to the rapid recombination of photogenerated electrons and holes. Nevertheless, this study clearly demonstrates that tin sulfide can function as a co-catalyst material in the formation of SrTiO<sub>3</sub>/SnS<sub><em>x</em></sub> nanocomposites, enhancing hydrogen production by facilitating electron excitation, increasing the effective surface area of SrTiO<sub>3</sub>, and effective photogenerated charge separation. Overall, the results highlight the potential of low-cost, noble-metal-free nanocomposite photocatalysts as promising candidates for efficient solar-to-hydrogen conversion via water splitting, leveraging the chemical versatility of perovskite materials to fine-tune photocatalytic properties.</p>","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"9 40","pages":"18822–18831"},"PeriodicalIF":5.8,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149153191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Screening Single-Atom Dopants in GaSe for Gas Adsorption and Sensing via Machine Learning 利用机器学习筛选GaSe中单原子掺杂剂的气体吸附和传感
IF 5.8 2区 材料科学
ACS Applied Nano Materials Pub Date : 2026-10-09 Epub Date: 2026-09-30 DOI: 10.1021/acsanm.6c03848
Zhengwei Hou, Miaomiao Tan, Long Lin, Kun Xie
{"title":"Screening Single-Atom Dopants in GaSe for Gas Adsorption and Sensing via Machine Learning","authors":"Zhengwei Hou,&nbsp;Miaomiao Tan,&nbsp;Long Lin,&nbsp;Kun Xie","doi":"10.1021/acsanm.6c03848","DOIUrl":"https://doi.org/10.1021/acsanm.6c03848","url":null,"abstract":"<p>Developing efficient nanoscale materials for toxic gas capture is critical to alleviating environmental crises. In this study, a highly efficient and low-cost nanoscale material design strategy is proposed targeting three typical toxic gases (CO, NO, and NO<sub>2</sub>). This strategy integrates density functional theory (DFT) calculations with machine learning (ML) methods to enable the robust evaluation of a vast compositional space, encompassing 25 heteroatom-doped GaSe monolayers. Eight mainstream ML models were deployed, facilitating the identification of optimal benchmark models (KRR for adsorption energy and RF for adsorption distance). In conjunction with SHapley Additive exPlanations (SHAP) analysis, this approach enabled the deconstruction of the underlying structure−property relationships. To rigorously verify the framework’s extrapolation capacity, independent out-of-distribution (OOD) blind tests and binding energy evaluations were executed. Subsequently, guided by multidimensional performance evaluations, three representative systems (Fe-, Ag-, and O-doped GaSe) were selected for in-depth electronic, thermodynamic, and kinetic validations<span></span>incorporating ab initio molecular dynamics (AIMD) and potential energy surface (PES) scans. Crucially, the results reveal distinct operational viabilities: the Fe-doped system ensures permanent gas sequestration, whereas the O-doped system demonstrates exceptional potential as a room-temperature reversible sensor with an ultra-fast NO<sub>2</sub> recovery time of 3.4 × 10<sup>−10</sup> s. Aided by artificial intelligence, this study provides a robust paradigm for the rapid screening and inverse design of nanoscale gas capture materials.</p>","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"9 40","pages":"19075–19089"},"PeriodicalIF":5.8,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149153249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ultrafast Photoinduced CIS/ZnS Quantum Dot-to-Doxorubicin Electron Transfer: Implications for Turn-On Drug-Delivery Sensing 超快光诱导CIS/ZnS量子点到阿霉素的电子转移:开启药物递送传感的意义
IF 5.8 2区 材料科学
ACS Applied Nano Materials Pub Date : 2026-10-09 Epub Date: 2026-08-29 DOI: 10.1021/acsanm.6c02287
Mirza Nasib Begg, Tanuja Kistwal, Prajit Kumar Singha, Tannu Kaushik, Anindya Datta
{"title":"Ultrafast Photoinduced CIS/ZnS Quantum Dot-to-Doxorubicin Electron Transfer: Implications for Turn-On Drug-Delivery Sensing","authors":"Mirza Nasib Begg,&nbsp;Tanuja Kistwal,&nbsp;Prajit Kumar Singha,&nbsp;Tannu Kaushik,&nbsp;Anindya Datta","doi":"10.1021/acsanm.6c02287","DOIUrl":"https://doi.org/10.1021/acsanm.6c02287","url":null,"abstract":"<p>Nano-bio interactions play a major role in biomedical applications, particularly in drug delivery, and understanding these interactions is key to the design of efficient and targeted nanocarriers. The key advantage of using such QDs as a delivery vehicle is that drug binding is marked by PL quenching of the QDs, while drug release is indicated by the restoration of PL of the QDs. Investigating the dynamics of the quenching process and understanding the mechanism are of utmost importance in this context. With this background, the interaction between ZnS-shelled copper indium sulfide quantum dots (CIS/ZnS QDs) and a chemotherapeutic drug, doxorubicin (DOX), has been probed using transient absorption spectroscopy. The spectroscopic results, with support from cyclic voltammetry, are consistent with photoinduced electron transfer (PET) being the dominant quenching mechanism from the QDs to DOX. While the process is intrinsically ultrafast, it becomes slower in the presence of bovine serum albumin (BSA), which forms a protein corona on the QDs, as confirmed by fluorescence correlation spectroscopy (FCS).</p>","PeriodicalId":6,"journal":{"name":"ACS Applied Nano Materials","volume":"9 40","pages":"18407–18417"},"PeriodicalIF":5.8,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149152982","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Solution-Processed Nanocomposite GO−AgNPs/AgNWs Transparent Conductive Films for Multifunctional Flexible Optoelectronics 溶液处理纳米复合GO−AgNPs/AgNWs透明导电膜用于多功能柔性光电子学
IF 5.8 2区 材料科学
ACS Applied Nano Materials Pub Date : 2026-10-09 Epub Date: 2026-09-25 DOI: 10.1021/acsanm.6c03253
Yu-Long Guo, Xin-Yi Luo, Qing-Xin Meng, Mei-Qi Ye, Tong-Yu Li, Qinxing Xie, Di Zhang, Hong-Zhang Geng
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