IF 27.8 1区材料科学

Advanced Energy Materials Pub Date : 2025-09-05 DOI: 10.1002/aenm.202503560

Yuanyuan Xue, Lijuan Zhang, Gengfeng Zheng

{"title":"Recent Advances in CO(2) Electroreduction Driven by Artificial Intelligence and Machine Learning","authors":"Yuanyuan Xue, Lijuan Zhang, Gengfeng Zheng","doi":"10.1002/aenm.202503560","DOIUrl":"https://doi.org/10.1002/aenm.202503560","url":null,"abstract":"The rapid development in the field of artificial intelligence is bringing advances in many research fields including the renewable electricity‐driven CO2 and CO reduction, which features as a promising approach to mitigate carbon emission and electrically synthesize value‐added chemicals. This review focuses on the recent progresses on artificial intelligence and machine learning in the field of CO(2) reduction based on the three aspects: the catalyst screening and design, reaction mechanism investigation, and the knowledge graph construction. For the catalyst development, this work discusses the acceleration of catalyst optimization and the generative artificial intelligence frameworks based on machine learning model predictions, which represent an emerging paradigm for designing efficient catalysts. For the investigation of reaction mechanisms, the combination of machine learning and in situ spectroscopies can present detailed information on the structure evolution and the electric field effects, enabling to bridge experiments and theories. For constructing the knowledge graph in the CO(2) electroreduction, the natural language processing technologies are demonstrating strong capabilities. Finally, the current challenges and potential perspectives on the interdisciplinary fields of CO(2)RR and artificial intelligence are proposed to provide inspiration for the continuous developments of this field.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"16 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145002921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Contrarian Design of Versatile MoS2‐Based Self‐Lubrication Film 多用途MoS2基自润滑膜的逆向设计

IF 13.3 2区材料科学

Small Pub Date : 2025-09-05 DOI: 10.1002/smll.202508430

Jingjie Pan, Rui Zhang, Junhan Yao, Zhixuan Mu, Xinlei Gu, Yankai Xie, Bin Zhang, Mao Wen, Chang Liu, Kan Zhang

{"title":"Contrarian Design of Versatile MoS2‐Based Self‐Lubrication Film","authors":"Jingjie Pan, Rui Zhang, Junhan Yao, Zhixuan Mu, Xinlei Gu, Yankai Xie, Bin Zhang, Mao Wen, Chang Liu, Kan Zhang","doi":"10.1002/smll.202508430","DOIUrl":"https://doi.org/10.1002/smll.202508430","url":null,"abstract":"Molybdenum disulfide (MoS2) exhibits excellent lubrication capacity rooted in its layered structure, but it suffers significant structural and functional deterioration due to oxidation in ambient environments, limiting its applications. Concerted efforts are focused on enhancing the antioxidation ability of MoS2, but challenges remain. This work conceptualizes and demonstrates a contrarian design of MoS2‐based film via metal incorporation and oxidation based on consideration of key fundamental principles of thermodynamics, chemistry, and physical mechanics. A three‐pronged process finds a metal of negative mixing enthalpy with Mo to induce amorphization of film, leading to structural densification and suppression of abrasive metal oxides that are harmful to lubrication, promotes, rather than impedes, oxidation in a top layer to enhance wear resistance and allow friction activated lamellar structure, and seeks low stacking fault energy for easy sliding in the lamellar structure to ensure superb low‐shear lubrication. A screening of selected transition metals identifies niobium (Nb) as the promising choice; ensuing experiments synthesize amorphous MoS2‐Nb (a‐MoS2‐Nb) film with superior tribological benchmarks. The present design strategy regulates the morphology and composition of the film to achieve the concurrent low‐friction and low‐wear functionality, opening a fresh path to making versatile lamellar structured lubricants for wide use in diverse environments.","PeriodicalId":228,"journal":{"name":"Small","volume":"28 1","pages":""},"PeriodicalIF":13.3,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145003186","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

Spin‐Active Polarons Induced Nucleophilic Substitution on Fluorographene for In Situ Fabricating Distinctively 2D‐Based Bifunctional Nanocomposites 自旋活性极化子诱导氟石墨烯亲核取代原位制备独特的二维双功能纳米复合材料

IF 13.3 2区材料科学

Small Pub Date : 2025-09-05 DOI: 10.1002/smll.202505423

Jiaxiang Liu, Kun Fan, Maoqi Bian, Qiyao Zhao, Huangyu Liu, Zhengyi Fang, Shuai Yang, Xu Wang, Xiangyang Liu

{"title":"Spin‐Active Polarons Induced Nucleophilic Substitution on Fluorographene for In Situ Fabricating Distinctively 2D‐Based Bifunctional Nanocomposites","authors":"Jiaxiang Liu, Kun Fan, Maoqi Bian, Qiyao Zhao, Huangyu Liu, Zhengyi Fang, Shuai Yang, Xu Wang, Xiangyang Liu","doi":"10.1002/smll.202505423","DOIUrl":"https://doi.org/10.1002/smll.202505423","url":null,"abstract":"Nucleophilic substitution reaction (SNR) plays a crucial role in traditional organic chemistry, and its extension into two dimensional (2D) materials has recently created a series of functional materials and advanced applications. However, the traditional SNR process is usually indiscriminately copied into existing 2D reaction systems, which tremendously restricts the development of special 2D functional materials and sophisticated applications. In this work, a brand‐new spin‐active polarons‐induced SNR process in typical 2D fluorographene (FG) is proposed, where nucleophiles preferentially attack particular oxygen groups for functional grafting, simultaneously inducing the generation of spin‐active polarons and subsequently rapid defluorination on the FG nanosheet. It is further revealed that the polarons are moderate but ongoing at low temperature and robust but short‐lived at room temperature, respectively, no matter of the type of nucleophile. Finally, the particular spin‐active polarons are regulated to fabricate a distinctively bifunctional and high‐performance graphene‐based nanofluid and self‐sustained, moist‐electric energy harvesting hydrogel with high and stable power generation (≈0.75 V, 4.5 µA, 33.6 mW m−2) by an in situ polymerization‐nanocomposite strategy. This work explores a unique 2D reaction process to break through the traditional SNR process on 2D materials, which offers a broad avenue to fabricate novel 2D‐based bifunctional materials and nanocomposites toward sophisticated applications.","PeriodicalId":228,"journal":{"name":"Small","volume":"12 1","pages":""},"PeriodicalIF":13.3,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145003188","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

Phase-Reconstruction of S-Doped (NiCo)6W6C for Efficient and Stable Oxygen Evolution Reaction Electrocatalysis. s掺杂（NiCo）6W6C高效稳定析氧反应电催化的相重构

IF 10.8 1区材料科学

Nano Letters Pub Date : 2025-09-05 DOI: 10.1021/acs.nanolett.5c03691

Yang Liu,Rui-Qi Yao,Li-Bo Chen,Tian-Yi Dai,Xin-Ying Sun,Shu-Pei Zeng,Zhi-Lan Zhou,Ying Wang,Gao-Feng Han,Tong-Hui Wang,Hang Shi,Xing-You Lang,Qing Jiang

{"title":"Phase-Reconstruction of S-Doped (NiCo)6W6C for Efficient and Stable Oxygen Evolution Reaction Electrocatalysis.","authors":"Yang Liu,Rui-Qi Yao,Li-Bo Chen,Tian-Yi Dai,Xin-Ying Sun,Shu-Pei Zeng,Zhi-Lan Zhou,Ying Wang,Gao-Feng Han,Tong-Hui Wang,Hang Shi,Xing-You Lang,Qing Jiang","doi":"10.1021/acs.nanolett.5c03691","DOIUrl":"https://doi.org/10.1021/acs.nanolett.5c03691","url":null,"abstract":"Developing highly active and stable nonprecious electrocatalysts toward sluggish alkaline oxygen evolution reaction (OER) is essential for large-scale green hydrogen production via electrochemical water splitting. Here we report phase and surface co-reconstruction of S-doped (NiCo)6W6C nanoparticles into (NiCo)Cx with amorphous electroactive NiCoOOH layer for highly efficient alkaline OER by W dissolution and NiCo surface oxidation. The W dissolution results in the formation of Brønsted base WO42- ions, which electrostatically accumulate around electrode to promote water dissociation into abundant OH* intermediates, in situ constructing a locally strong alkaline microenvironment to facilitate OH* adsorption on NiCoOOH sites and trigger lattice-oxygen oxidation path. As a result, the heterostructure electrode exhibits superior OER electrocatalysis with low Tafel slope of ∼35 mV dec-1 in 1 M KOH. It delivers high ampere-level current density of ∼1 A cm-2 at a low overpotential of 275 mV, and maintains extraordinary stability for over 1000 h.","PeriodicalId":53,"journal":{"name":"Nano Letters","volume":"43 1","pages":""},"PeriodicalIF":10.8,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145003248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The doubly filled skutterudite (La,Sm)y(FexNi1-x)4Sb12 (y = 0.19-0.70, x = 0.52-0.85): Structural and thermoelectric features 双填充方钨矿（La,Sm）y(FexNi1-x)4Sb12 （y = 0.19-0.70, x = 0.52-0.85）的结构和热电特性

IF 6.2 2区材料科学

Journal of Alloys and Compounds Pub Date : 2025-09-05 DOI: 10.1016/j.jallcom.2025.183572

Cecilia Piscino, Pietro Manfrinetti, Giovanna Latronico, Nadia Parodi, Roberto Spotorno, Tanguy Bernard, Paolo Scardi, Paolo Mele, Cristina Artini

{"title":"The doubly filled skutterudite (La,Sm)y(FexNi1-x)4Sb12 (y = 0.19-0.70, x = 0.52-0.85): Structural and thermoelectric features","authors":"Cecilia Piscino, Pietro Manfrinetti, Giovanna Latronico, Nadia Parodi, Roberto Spotorno, Tanguy Bernard, Paolo Scardi, Paolo Mele, Cristina Artini","doi":"10.1016/j.jallcom.2025.183572","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.183572","url":null,"abstract":"A comprehensive investigation of the double-filled skutterudite system (La,Sm)y(FexNi1-x)4Sb12 (y = 0.19-0.70, x = 0.52-0.85) has been carried out with the aim of exploring the influence of multi-filling with rare-earth elements on the structural and thermoelectric properties of the material. The introduction of La alongside Sm leads to a progressive increase in the filling degree as the Fe content increases, associated with structural modifications without evident slope changes in the cell parameter. The p/n crossover is identified at x ~ 0.67 and y ~ 0.45, and it is bound to changes in several physical parameters. Thermoelectric measurements reveal notably low thermal conductivity values in heavily filled compositions, attributed to enhanced phonon scattering due to the mass contrast and rattling effects of the two different fillers. As a result, the sample with x = 0.79 and y = 0.65 achieves a remarkable ZT value of approximately 1 at 650 K. These outcomes confirm that double-filling with La and Sm represents an effective strategy to reduce lattice thermal conductivity and improve the thermoelectric performance in Fe/Ni-based skutterudites.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"163 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145003448","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

Natural Polyphenol-Functionalized Schwann Cell-Derived Exosomes as a Temporal Neuromodulation Strategy for Diabetic Periodontitis Therapy. 天然多酚功能化雪旺细胞衍生外显体作为糖尿病牙周炎治疗的颞神经调节策略。

IF 17.1 1区材料科学

ACS Nano Pub Date : 2025-09-05 DOI: 10.1021/acsnano.5c08885

Le Fan,Tianyou Wang,Yuchen Liu,Meirui Ma,Gen Liu,Yiqiao Wang,Juan Xia,Zhipeng Gu,Zhichao Hao

{"title":"Natural Polyphenol-Functionalized Schwann Cell-Derived Exosomes as a Temporal Neuromodulation Strategy for Diabetic Periodontitis Therapy.","authors":"Le Fan,Tianyou Wang,Yuchen Liu,Meirui Ma,Gen Liu,Yiqiao Wang,Juan Xia,Zhipeng Gu,Zhichao Hao","doi":"10.1021/acsnano.5c08885","DOIUrl":"https://doi.org/10.1021/acsnano.5c08885","url":null,"abstract":"An interactive bidirectional relationship between periodontitis and diabetes poses great challenges for the treatment of diabetic periodontitis in clinical practice. The hyperglycemic inflammatory periodontal microenvironment is characterized by oxidative damage, chronic invasive infection, excessive inflammation, unbalanced immunomodulation, progressive neuropathy, diabetic vasculopathy, and uncoupled bone resorption and formation responses. The neuromodulation strategy holds great potential to mediate and coordinate temporally the complex microenvironment for diabetic periodontal regeneration. Herein, natural grape seed polyphenols (GSPs) were used to modify the surface of exosomes derived from Schwann cells (SC Exo) through polyphenolic polymerization and noncovalent interactions. The GSP-coated SC Exo (GSP@SC Exo) system demonstrated antibacterial and antioxidative properties. Furthermore, these GSP@SC Exo nanoparticles could induce axonal growth of dorsal root ganglia explants, production of anti-inflammatory factors, M2 polarization of macrophages, tube formation of human umbilical vein endothelial cells, and human periodontal ligament stem cell osteogenic differentiation in vitro. Additionally, diabetic periodontal destruction was reversed through nerve regeneration, anti-inflammatory effect, immunomodulation, neovascularization, and alveolar bone formation in vivo. Therefore, this study provided a facile and effective neural engineering strategy for guiding the treatment of diabetic periodontitis in clinical applications.","PeriodicalId":21,"journal":{"name":"ACS Nano","volume":"33 1","pages":""},"PeriodicalIF":17.1,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144995746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Local photocrosslinking of native tissue matrix regulates lung epithelial cell mechanosensing and function 天然组织基质的局部光交联调节肺上皮细胞的机械感知和功能

IF 41.2 1区材料科学

Nature Materials Pub Date : 2025-09-05 DOI: 10.1038/s41563-025-02329-0

Donia W. Ahmed, Matthew L. Tan, Yuchen Liu, Jackson Gabbard, Esther Gao, Avinava Roy, Michael M. Hu, Firaol S. Midekssa, Miriam Stevens, Fulei Wuchu, Minal Nenwani, Jingyi Xia, Adam Abraham, Deepak Nagrath, Lin Han, Rachel L. Zemans, Brendon M. Baker, Claudia Loebel

{"title":"Local photocrosslinking of native tissue matrix regulates lung epithelial cell mechanosensing and function","authors":"Donia W. Ahmed, Matthew L. Tan, Yuchen Liu, Jackson Gabbard, Esther Gao, Avinava Roy, Michael M. Hu, Firaol S. Midekssa, Miriam Stevens, Fulei Wuchu, Minal Nenwani, Jingyi Xia, Adam Abraham, Deepak Nagrath, Lin Han, Rachel L. Zemans, Brendon M. Baker, Claudia Loebel","doi":"10.1038/s41563-025-02329-0","DOIUrl":"https://doi.org/10.1038/s41563-025-02329-0","url":null,"abstract":"Within most tissues, the extracellular microenvironment provides mechanical cues that guide cell fate and function. Changes in the extracellular matrix such as aberrant deposition, densification and increased crosslinking are hallmarks of late-stage fibrotic diseases that often lead to organ dysfunction. Biomaterials have been widely used to mimic the mechanical properties of the fibrotic matrix and study pathophysiologic cell function. However, the initiation of fibrosis has largely been overlooked, due to challenges in recapitulating early stages of disease progression within the native extracellular microenvironment. Here, using visible-light-mediated photochemistry, we induced local crosslinking and stiffening of extracellular matrix proteins within ex vivo mouse and human lung tissue. In ex vivo lung tissue of epithelial cell lineage-traced mice, local matrix crosslinking mimicked early fibrotic lesions that increased alveolar epithelial cell mechanosensing, differentiation, and nascent protein deposition and remodelling. However, the inhibition of cytoskeletal tension, mechanosensitive signalling pathways or integrin engagement reduced epithelial cell spreading and differentiation. Our findings emphasize the role of local extracellular matrix crosslinking and nascent protein deposition in early stage tissue fibrosis and have implications for ex vivo disease modelling and applications to other tissues.","PeriodicalId":19058,"journal":{"name":"Nature Materials","volume":"33 1","pages":""},"PeriodicalIF":41.2,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144995805","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Magnetically actuated multimodal bioelectronic catheter for minimally invasive surgery and sensing 用于微创手术和传感的磁驱动多模态生物电子导管

IF 41.2 1区材料科学

Nature Materials Pub Date : 2025-09-05 DOI: 10.1038/s41563-025-02340-5

Jingbo Yang, Yuanxi Zhang, Zhengjie Liu, Shuang Huang, Xinshuo Huang, Yunuo Wang, Mingqiang Li, Shantao Zheng, Fuqian Chen, Jing Liu, Yu Tao, Tong Wu, Lizhi Xu, Huijiuan Chen, Lelun Jiang, Xi Xie

{"title":"Magnetically actuated multimodal bioelectronic catheter for minimally invasive surgery and sensing","authors":"Jingbo Yang, Yuanxi Zhang, Zhengjie Liu, Shuang Huang, Xinshuo Huang, Yunuo Wang, Mingqiang Li, Shantao Zheng, Fuqian Chen, Jing Liu, Yu Tao, Tong Wu, Lizhi Xu, Huijiuan Chen, Lelun Jiang, Xi Xie","doi":"10.1038/s41563-025-02340-5","DOIUrl":"https://doi.org/10.1038/s41563-025-02340-5","url":null,"abstract":"Small-scale magnetically actuated catheters capable of remote active navigation have promising applications in minimally invasive surgeries. However, existing fabrication techniques hinder their integration with multimodal sensing components, especially since embedding rigid electronic components within the catheters may diminish their flexibility and controllability. Here we report a magnetically actuated bioelectronic catheter with the in situ multiplexed biosensing of multiple types of metabolite or ion simultaneously. We use four-dimensional multichannel printing to fabricate a flexible multichannel ferromagnetic catheter with a multichannel-sheath structure, comprising six liquid metal microchannels embedded in a polymer matrix for electrical conduction. The catheter can navigate through blood vessels and intestines using magnetically controlled active steering, being used for renal vein or intestines interventional surgeries and in situ multimetabolite sensing on rabbit and porcine models. Overall, the reported magnetically actuated bioelectronic catheter is a promising tool for remotely controlled biosensing and therapies on hard-to-reach lesions during minimally invasive surgery.","PeriodicalId":19058,"journal":{"name":"Nature Materials","volume":"30 1","pages":""},"PeriodicalIF":41.2,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144995806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molten-Salt-Assisted Synthesis of Bismuth Catalysts with Rich Grain Boundaries for Efficient CO2 Conversion to High-Purity Formic Acid. 熔融盐辅助合成富晶界铋催化剂用于CO2高效转化为高纯度甲酸。

IF 10.8 1区材料科学

Nano Letters Pub Date : 2025-09-05 DOI: 10.1021/acs.nanolett.5c03829

Laihao Luo,Qinlong Gao,Haoyuan Wang,Chunxiao Liu,Yuan Ji,Xu Li,Qiu Jiang,Tingting Zheng,Chuan Xia

{"title":"Molten-Salt-Assisted Synthesis of Bismuth Catalysts with Rich Grain Boundaries for Efficient CO2 Conversion to High-Purity Formic Acid.","authors":"Laihao Luo,Qinlong Gao,Haoyuan Wang,Chunxiao Liu,Yuan Ji,Xu Li,Qiu Jiang,Tingting Zheng,Chuan Xia","doi":"10.1021/acs.nanolett.5c03829","DOIUrl":"https://doi.org/10.1021/acs.nanolett.5c03829","url":null,"abstract":"Electrochemical CO2 reduction to formic acid, powered by renewable electricity, enables a sustainable carbon cycle by providing a versatile chemical feedstock and energy carrier. Bismuth-based catalysts are known for their high formate selectivity but face challenges in balancing selectivity and stability at industrial current densities. In this study, we present a two-step approach that combines molten-salt synthesis with in situ reduction to fabricate polycrystalline bismuth catalysts with rich exposed grain boundaries (GB-Bi). The GB-Bi catalysts demonstrate exceptional CO2RR performance, achieving a Faradaic efficiency exceeding 90% toward formate at ampere-level current densities. Spectroscopic evidence combined with theoretical calculations validated the role of grain boundaries in promoting CO2 adsorption and activation, thereby enhancing the overall catalytic performance. Moreover, when deployed in a solid-state electrolyte reactor, GB-Bi demonstrated outstanding stability, continuously producing a high-purity formic acid solution at -200 mA for over 210 h.","PeriodicalId":53,"journal":{"name":"Nano Letters","volume":"64 1","pages":""},"PeriodicalIF":10.8,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144995845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Controlling Schottky Barriers and Tunneling Resistances in Metal/Cu2Se Contacts via van der Waals Interlayers. 利用范德华夹层控制金属/Cu2Se触点中的肖特基势垒和隧道电阻。

IF 9.5 2区材料科学

ACS Applied Materials & Interfaces Pub Date : 2025-09-05 DOI: 10.1021/acsami.5c13504

Xi Geng,Yufei Xue,Ruiping Duan,Jianchen Lu,Lei Gao

{"title":"Controlling Schottky Barriers and Tunneling Resistances in Metal/Cu2Se Contacts via van der Waals Interlayers.","authors":"Xi Geng,Yufei Xue,Ruiping Duan,Jianchen Lu,Lei Gao","doi":"10.1021/acsami.5c13504","DOIUrl":"https://doi.org/10.1021/acsami.5c13504","url":null,"abstract":"Electrode contact properties with two-dimensional (2D) channel materials decisively determine the nanodevice's overall performance. A recently synthesized semiconducting Cu2Se monolayer has emerged as a promising candidate for high-performance device channels due to its high carrier mobility, excellent environmental stability, and a reversible thermal-driven phase transition accompanied by a direct-to-indirect band-gap variation. Herein, to identify promising high-quality electrodes for Cu2Se, the contact properties with various metals (Al, Ag, Au, Ni, and Co), as well as the modulation effects of graphene and h-BN interlayers, are systematically investigated based on first-principles calculations. The results demonstrate Ohmic contact formation between Cu2Se and all metals (Al, Ag, Au, Ni, and Co), with tunneling probabilities of 42.84%, 91.67%, 79.89%, 66.89%, and 100%, respectively. Strong interfacial hybridization induces metal-induced gap states (MIGSs), rendering the contact type nontunable with metal work function variations. Intercalating van der Waals interlayers (graphene/h-BN) suppresses MIGSs and enables Schottky barrier tuning. Crucially, at ≥3 interlayers, both metals/Gra/Cu2Se and metals/BN/Cu2Se contacts become independent of the bulk metallic electrodes as interlayer work functions dominate the practical work functions of metals/Gra (BN). Concurrently, tunneling barriers increase with additional interlayers. This work provides theoretical insights into interface engineering strategies for the development of high-performance Cu2Se-based nanodevices.","PeriodicalId":5,"journal":{"name":"ACS Applied Materials & Interfaces","volume":"30 1","pages":""},"PeriodicalIF":9.5,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144995873","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

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