ACS Materials Letters最新文献_第6页

Effect of Ligand Length on Antibacterial Activity of Ultrasmall Gold Nanoparticles 配体长度对超小金纳米颗粒抗菌活性的影响

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2025-03-22 DOI: 10.1021/acsmaterialslett.4c0260810.1021/acsmaterialslett.4c02608

Zehui Yao, Shasha Zhang*, Zijun Zhang, Quan Wan, Taolei Sun and Guanbin Gao*,

{"title":"Effect of Ligand Length on Antibacterial Activity of Ultrasmall Gold Nanoparticles","authors":"Zehui Yao, Shasha Zhang*, Zijun Zhang, Quan Wan, Taolei Sun and Guanbin Gao*, ","doi":"10.1021/acsmaterialslett.4c0260810.1021/acsmaterialslett.4c02608","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.4c02608https://doi.org/10.1021/acsmaterialslett.4c02608","url":null,"abstract":"Three different length ligands (3/6/11-aminopropylthiol hydrochloride (APT/AHT/AUT)) were modified onto the surface of ultrasmall (d < 3 nm) gold nanoparticles (AuNPs) to investigate the ligand length on their antibacterial performance. Compared with the medium-chain AHT-AuNPs, both the short-chain APT-AuNPs and the long-chain AUT-AuNPs exhibited better antibacterial activity against Escherichia coli and Staphylococcus aureus. Antibacterial mechanistic investigations revealed that the adsorption efficiency of AHT-AuNPs on bacterial membranes was significantly lower compared with APT-AuNPs and AUT-AuNPs. This resulted in reduced membrane disruption, decreased ATP depletion, and diminished ROS generation by AHT-AuNPs relative to APT-AuNPs and AUT-AuNPs, ultimately leading to a lower antibacterial efficacy of AHT-AuNPs compared with APT-AuNPs and AUT-AuNPs. This study offers novel insights into the correlation between the structural features of ultrasmall AuNPs and their antibacterial efficacy, serving as a valuable reference for optimizing the ligand chain length in the development of high-performance nanoantibacterial materials.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"7 4","pages":"1520–1525 1520–1525"},"PeriodicalIF":9.6,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143784859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Machine Learning-Accelerated Prediction of Amorphization Enthalpy in Ionic Compounds 离子化合物非晶化焓的机器学习加速预测

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2025-03-21 DOI: 10.1021/acsmaterialslett.5c0006610.1021/acsmaterialslett.5c00066

Qian Yu, Guang Sun and Wei Luo*,

{"title":"Machine Learning-Accelerated Prediction of Amorphization Enthalpy in Ionic Compounds","authors":"Qian Yu, Guang Sun and Wei Luo*, ","doi":"10.1021/acsmaterialslett.5c0006610.1021/acsmaterialslett.5c00066","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.5c00066https://doi.org/10.1021/acsmaterialslett.5c00066","url":null,"abstract":"Amorphous ionic materials hold promise for advanced energy storage, electrocatalysis, and optical devices, yet systematically evaluating their propensity to form amorphous phases remains underdeveloped. Here, we present a machine learning framework for efficiently predicting amorphization enthalpy, a universal measure of the thermodynamic cost of converting crystalline ionic compounds to amorphous phases. By combining a standardized DFT-based melt-and-quench protocol with machine learning, we build a training set of 407 compounds and identify key descriptors linked to the amorphization enthalpy. A random forest regressor highlights relevant features but shows a limited predictive power. To overcome this, we implement e3nn, one of the state-of-art graph neural networks (GNN), and adopt a transfer-learning approach. Applying this GNN to screen 12,123 ionic compounds reveals that nitrides and sulfides typically resist amorphization, while alkali- or halogen-rich and multi-cation compositions favor it. Our data-driven approach offers a practical guide for discovering novel amorphous ionic materials, accelerating experimental development across diverse applications.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"7 4","pages":"1496–1502 1496–1502"},"PeriodicalIF":9.6,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143784997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Predicting the Strength of Composites with Computer Vision Using Small Experimental Datasets 基于小实验数据集的计算机视觉复合材料强度预测

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2025-03-21 DOI: 10.1021/acsmaterialslett.4c0242410.1021/acsmaterialslett.4c02424

Po-Hao Lai, Enrique D. Gomez*, Bryan D. Vogt* and Wesley F. Reinhart*,

{"title":"Predicting the Strength of Composites with Computer Vision Using Small Experimental Datasets","authors":"Po-Hao Lai, Enrique D. Gomez*, Bryan D. Vogt* and Wesley F. Reinhart*, ","doi":"10.1021/acsmaterialslett.4c0242410.1021/acsmaterialslett.4c02424","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.4c02424https://doi.org/10.1021/acsmaterialslett.4c02424","url":null,"abstract":"Composite materials offer versatile properties, but predicting their mechanical behavior remains challenging due to complex morphology-performance relationships. We address this challenge using convolutional neural networks (CNNs) to analyze X-ray computed tomography (CT) images of cold-sintered polymer-ceramic composites. Traditional machine learning models with morphological features as inputs yielded limited accuracy, while transfer learning from pretrained CNNs improved predictions. Bayesian hyperparameter optimization and ensemble learning further refined the model, achieving R2 values of up to 0.94 on unseen data. Leveraging the z-stack nature of CT imaging, a meta-learning approach enhanced predictions, improving R2 to 0.95. This study demonstrates alternative machine learning approaches using small datasets to uncover morphology–structure–property relationships in composites and highlights the potential of computer vision in materials development.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"7 4","pages":"1503–1511 1503–1511"},"PeriodicalIF":9.6,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785025","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nonpolar Pore Confinement within Metal–Organic Frameworks for Xe/Kr Separation 金属-有机骨架中非极性孔约束对Xe/Kr分离的影响

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2025-03-21 DOI: 10.1021/acsmaterialslett.5c0016910.1021/acsmaterialslett.5c00169

Yuqing Qi, Chaozhuang Xue*, Yingying Zhang, Yexin Huang, Hongliang Huang, Lei Gan* and Huajun Yang*,

{"title":"Nonpolar Pore Confinement within Metal–Organic Frameworks for Xe/Kr Separation","authors":"Yuqing Qi, Chaozhuang Xue*, Yingying Zhang, Yexin Huang, Hongliang Huang, Lei Gan* and Huajun Yang*, ","doi":"10.1021/acsmaterialslett.5c0016910.1021/acsmaterialslett.5c00169","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.5c00169https://doi.org/10.1021/acsmaterialslett.5c00169","url":null,"abstract":"Adsorptive separation of Xe/Kr is challenging due to their similar properties. A notable difference between Xe and Kr lies in their polarizability, with Xe being much “softer” (having a higher polarizability). By taking advantage of this, in this work, nonpolar methyl groups were incorporated into metal–organic frameworks (MOFs) in a programmable manner to provide a synergistic effect derived from the pore confinement and nonpolar pore environment. The pillar-layered MOF, NNM-30, can capture Xe with an exceptionally high capacity of 3.07 mmol/g at 298 K and 20 kPa, a more than 7-fold increase compared to that achieved with pristine MOF (Co-DMOF). A high Xe/Kr selectivity (16.56) was also observed. The excellent separation capacity under dry or humid conditions for a 20:80 Xe/Kr mixture was confirmed by breakthrough experiments. Additionally, Co-DMOF-(CH3)4 showed efficient Xe capture at an ultralow concentration (400 ppm), which indicates it is promising for Xe removal from the used nuclear fuel reprocessing off-gas.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"7 4","pages":"1488–1495 1488–1495"},"PeriodicalIF":9.6,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Discovering Pseudo-Supertetrahedral Functional Units in Salt-Inclusion Nonlinear Optical Material [Ba22(SO4)5][Zn14Ga18S58] 盐包体非线性光学材料[Ba22(SO4)5][Zn14Ga18S58]中伪超四面体功能单元的发现

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2025-03-21 DOI: 10.1021/acsmaterialslett.5c0011610.1021/acsmaterialslett.5c00116

Jia-Xiang Zhang, Mao-Yin Ran, A-Yang Wang, Zuju Ma*, Xin-Tao Wu, Hua Lin* and Qi-Long Zhu*,

{"title":"Discovering Pseudo-Supertetrahedral Functional Units in Salt-Inclusion Nonlinear Optical Material [Ba22(SO4)5][Zn14Ga18S58]","authors":"Jia-Xiang Zhang, Mao-Yin Ran, A-Yang Wang, Zuju Ma*, Xin-Tao Wu, Hua Lin* and Qi-Long Zhu*, ","doi":"10.1021/acsmaterialslett.5c0011610.1021/acsmaterialslett.5c00116","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.5c00116https://doi.org/10.1021/acsmaterialslett.5c00116","url":null,"abstract":"Chalcogenide supertetrahedral functional units play a vital role in both fundamental research and technological applications, but discovering new types of these units remains a significant challenge. This gap is largely due to the difficulty in inducing stable, novel supertetrahedral structures with unique properties. In this work, we successfully synthesize [Ba22(SO4)5][Zn14Ga18S58] (BZGSO), the first sulfate-incorporated salt-inclusion chalcogenide, using high-temperature solid-state methods. BZGSO features a unique, noncentrosymmetric FTW-type framework composed of unprecedented pseudosupertetrahedral [Zn13Ga16S58] functional units. These units are formed by defective [Zn3Ga4S16] clusters around a [ZnS6] octahedron. Notably, BZGSO exhibits promising characteristics for infrared nonlinear optical applications. The theoretical analysis reveals key structure–property relationships, and a systematic study of X/Zn/Ga/S compounds suggests a trend in structural dimensionality based on [X/(Zn+Ga)] ratios. This work not only advances the understanding of supertetrahedral chemistry but also paves the way for the discovery of materials with potential technological applications.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"7 4","pages":"1512–1519 1512–1519"},"PeriodicalIF":9.6,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785023","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Intrachain Electron Transport in a Naphthalene Diimide–Bithiophene Copolymer: A Mixed-Valence Approach 二亚胺-二噻吩共聚物的链内电子传递：混合价方法

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2025-03-20 DOI: 10.1021/acsmaterialslett.4c0250010.1021/acsmaterialslett.4c02500

Aiswarya Abhisek Mohapatra, Chamikara Karunasena, Shuya Li, Arianna Magni, Victor Brosius, Kan Tang, Saied Md Pratik, Ann L. Greenaway, Jean-Luc Bredas, Alberto Salleo, Seth R. Marder, Stephen Barlow* and Veaceslav Coropceanu*,

{"title":"Intrachain Electron Transport in a Naphthalene Diimide–Bithiophene Copolymer: A Mixed-Valence Approach","authors":"Aiswarya Abhisek Mohapatra, Chamikara Karunasena, Shuya Li, Arianna Magni, Victor Brosius, Kan Tang, Saied Md Pratik, Ann L. Greenaway, Jean-Luc Bredas, Alberto Salleo, Seth R. Marder, Stephen Barlow* and Veaceslav Coropceanu*, ","doi":"10.1021/acsmaterialslett.4c0250010.1021/acsmaterialslett.4c02500","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.4c02500https://doi.org/10.1021/acsmaterialslett.4c02500","url":null,"abstract":"The mechanism of electron transport in the polymer P(NDI2OD-T2) (poly(N,N′-bis-2-octyldodecylnaphthalene-1,4,5,8-bis-dicarboximide-2,6-diyl-alt-2,2′-bithiophene-5,5′-diyl), N2200) is investigated. We use spectroelectrochemical measurements on P(NDI2OD-T2), spectroscopic studies of a chemically reduced model compound, 2,2′-(2,2′-bithiophene-5,5′-diyl)-bis(N,N′-di-n-hexylnaphthalene-1,8:4,5-bis(dicarboximide)) (NDI-T2-NDI), and electronic structure calculations to evaluate the microscopic charge-transport parameters. Experimental and computational data suggest that NDI-T2-NDI•– is a class-II mixed-valence compound, strongly supporting the small-polaron hopping model as a charge-transport mechanism for electrons along polymer chains in P(NDI2OD-T2). The electronic coupling between the NDI redox units is at least 21 meV, while the reorganization energy is between 0.45 and 0.56 eV. Using a hopping model, we estimated the mobility and activation energy for electron transport along P(NDI2OD-T2) polymer chains to be 0.15 cm2 V–1 s–1 and 60 meV, respectively. Our study elucidates a long-standing issue of explaining the coexistence in P(NDI2OD-T2) of localized redox sites with relatively large electron mobilities more usually achieved only in highly conjugated polymers.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"7 4","pages":"1447–1453 1447–1453"},"PeriodicalIF":9.6,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Microfluidic Construction of Heterogeneous Micro–Nano-Structured Materials for Biomedical Applications 生物医学应用非均质微纳米结构材料的微流控构建

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2025-03-20 DOI: 10.1021/acsmaterialslett.4c0248710.1021/acsmaterialslett.4c02487

Xiaowei Yang, Chaojing Li*, Yongjie Jiao, Lu Wang and Fujun Wang*,

引用次数: 0

Nanometrically Confined Water Molecules in 2D Polyoxometalate-Based Metal–Organic Frameworks Enhancing Proton Conductivity 二维多金属氧酸盐基金属有机框架中的纳米限制水分子增强质子电导率

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2025-03-20 DOI: 10.1021/acsmaterialslett.5c0033310.1021/acsmaterialslett.5c00333

Yu-Ming Cui, Bao-Yue Zhang, Jing Sun*, Xingqi Han*, Xue-Song Wu* and Zhong-Min Su,

{"title":"Nanometrically Confined Water Molecules in 2D Polyoxometalate-Based Metal–Organic Frameworks Enhancing Proton Conductivity","authors":"Yu-Ming Cui, Bao-Yue Zhang, Jing Sun*, Xingqi Han*, Xue-Song Wu* and Zhong-Min Su, ","doi":"10.1021/acsmaterialslett.5c0033310.1021/acsmaterialslett.5c00333","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.5c00333https://doi.org/10.1021/acsmaterialslett.5c00333","url":null,"abstract":"Confining water molecules within sub1 nm channels is recognized as an effective strategy for improving proton conductivity. Utilizing a hydrothermal synthesis approach, two new two-dimensional (2D) polyoxometalate-based metal–organic frameworks (POMOFs) were successfully synthesized, named [Ni(Bip)2(H2O)2(γ-Mo8O26)]·3H2O (CUST-862) and [Co2(Bip)2(H2O)4(γ-Mo8O26)]·2H2O (CUST-863). Thermogravimetric analysis (TGA) and powder X-ray diffraction (PXRD) results demonstrated that both compounds exhibit excellent water stability and thermal stability. Alternating current (AC) impedance spectroscopy revealed that CUST-862 achieved a maximum proton conductivity of 1.97 × 10–3 S cm–1, which is an order of magnitude higher than that of CUST-863 under conditions of 90 °C and 98% relative humidity (RH). The space confined effect of sub-1-nm channels acting on free molecules in CUST-862 effectively enhances the proton conductivity. The results obtained from attenuated total reflection infrared (ATR-IR) and water vapor adsorption–desorption tests offered a comprehensive explanation for the confinement effect. This research gives a novel approach for enhancing proton conductivities in POMs-based materials.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"7 4","pages":"1454–1461 1454–1461"},"PeriodicalIF":9.6,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785020","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Pyrrolopyrrole Cyanine-Based Polymer with Superior Multifunctionality for Boosting Cancer Phototheranostics 具有优越多功能性的吡咯吡咯菁基聚合物促进癌症光疗

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2025-03-19 DOI: 10.1021/acsmaterialslett.5c0025910.1021/acsmaterialslett.5c00259

Xue Meng, Yingnan Xu, Yuan Zhang, Huaxin Zhu, Jianwen Song, Ji Qi*, Wenqiang Qiao* and Di Zhang*,

{"title":"Pyrrolopyrrole Cyanine-Based Polymer with Superior Multifunctionality for Boosting Cancer Phototheranostics","authors":"Xue Meng, Yingnan Xu, Yuan Zhang, Huaxin Zhu, Jianwen Song, Ji Qi*, Wenqiang Qiao* and Di Zhang*, ","doi":"10.1021/acsmaterialslett.5c0025910.1021/acsmaterialslett.5c00259","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.5c00259https://doi.org/10.1021/acsmaterialslett.5c00259","url":null,"abstract":"Molecular agents with exceptional multifunctionality are highly sought for phototheranostic applications. Herein we present a high-performance polymer for near-infrared II (NIR-II) fluorescence and photoacoustic (PA) imaging-guided mild photothermal therapy (mPTT) of tumors. We synthesize a series of semiconducting polymers based on pyrrolopyrrole cyanine, identifying that P(P-T) exhibits large mass extinction coefficient (139 L g–1 cm–1), excellent photothermal performance, bright NIR-II fluorescence, and PA imaging signals, making it among the highest-performing polymers in these properties. A tumor-targeting agent was developed by coencapsulating the high-performance polymer with a heat shock protein (HSP) inhibitor and camouflaging with M1 macrophage membranes. The integration of NIR-II fluorescence and PA imaging enables comprehensive tumor site delineation, guiding subsequent therapeutic intervention. In 4T1 tumor-bearing mice, the synergistic effect of mPTT under low-power 808 nm laser irradiation, combined with HSP inhibition, resulted in significant tumor suppression. This work offers valuable insights for designing advanced phototheranostic agents.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"7 4","pages":"1431–1439 1431–1439"},"PeriodicalIF":9.6,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

On-Surface Reactions of Electronically Active Self-Assembled Monolayers for Electrode Work Function Tuning 用于电极功函数调谐的电子活性自组装单层膜的表面反应

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2025-03-19 DOI: 10.1021/acsmaterialslett.4c0226710.1021/acsmaterialslett.4c02267

Ricardo Ruvalcaba, Zhongzhe Liu, Mohamad Insan Nugraha, George Harrison, Yu-Ying Yang, Marco Thaler, Adam V. Marsh, Matthias Zeilerbauer, Chrysa Aivalioti, Raul Ricardo Aguileta-Vazquez, Leonidas Tsetseris, Laerte L. Patera, Percy Zahl, Martin Heeney*, Thomas D. Anthopoulos* and Shadi Fatayer*,

{"title":"On-Surface Reactions of Electronically Active Self-Assembled Monolayers for Electrode Work Function Tuning","authors":"Ricardo Ruvalcaba, Zhongzhe Liu, Mohamad Insan Nugraha, George Harrison, Yu-Ying Yang, Marco Thaler, Adam V. Marsh, Matthias Zeilerbauer, Chrysa Aivalioti, Raul Ricardo Aguileta-Vazquez, Leonidas Tsetseris, Laerte L. Patera, Percy Zahl, Martin Heeney*, Thomas D. Anthopoulos* and Shadi Fatayer*, ","doi":"10.1021/acsmaterialslett.4c0226710.1021/acsmaterialslett.4c02267","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.4c02267https://doi.org/10.1021/acsmaterialslett.4c02267","url":null,"abstract":"Self-assembled monolayers (SAMs) help improve the performance of organic electronic devices through interface passivation and enhanced carrier transport. Yet, there is limited information regarding the chemical structure of the SAMs upon functionalization and subsequent thermal treatment. Here, we studied the on-surface reaction of carbazole-derived SAMs on model gold electrodes, focusing on the chemical structure changes induced by thermal treatments. Furthermore, we correlate the microscopic changes with their impact on the electrode’s work function. The carbazole-based SAMs first transform into organometallic complexes. At higher annealing temperatures, SAMs convert to oligomeric complexes. The observed chemical reactions significantly reduce the electrode work function and facilitate electron injection in n-type organic thin-film transistors. Our results highlight the on-surface synthesis of electronically active SAMs as an alternative approach for modifying the work function of electrodes for organic electronics.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"7 4","pages":"1421–1430 1421–1430"},"PeriodicalIF":9.6,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmaterialslett.4c02267","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143784996","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0