ACS Applied Electronic Materials最新文献

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Improving the Density and Electrical Properties of Self-Reducing Reactive Silver Inks by Suppressing Complexing Agent Evaporation 通过抑制络合剂蒸发改善自还原反应银墨的密度和电性能
IF 4.3 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-11-05 DOI: 10.1021/acsaelm.4c0130510.1021/acsaelm.4c01305
Steven J. DiGregorio, Mary Pat Nicodemus and Owen J. Hildreth*, 
{"title":"Improving the Density and Electrical Properties of Self-Reducing Reactive Silver Inks by Suppressing Complexing Agent Evaporation","authors":"Steven J. DiGregorio,&nbsp;Mary Pat Nicodemus and Owen J. Hildreth*,&nbsp;","doi":"10.1021/acsaelm.4c0130510.1021/acsaelm.4c01305","DOIUrl":"https://doi.org/10.1021/acsaelm.4c01305https://doi.org/10.1021/acsaelm.4c01305","url":null,"abstract":"<p >Self-reducing reactive silver inks are promising for printed electronics due to their low processing temperatures, high performance, and prolonged shelf life. Previous research showed that dense, high-quality silver can be printed without needing any postprint sintering steps by preferentially growing silver at the ink–substrate interface while also minimizing silver growth at the ink–vapor interface. This work builds on this concept and highlights importances of suppressing complexing agent evaporation rate to improve ink performance. By suppressing complexing agent evaporation increases silver formation at the ink–substrate interface, electrical conductivity improvement by over 2.5× for some ink formulations. Two independent studies demonstrate the benefits of this approach: one compares inks synthesized with varying vapor pressure complexing agents and the other prints inks in a complexing agent-rich environment to slow evaporation rates. Both approaches consistently yielded denser silver with lower resistances. For instance, using a propylamine complexing agent instead of ammonia at 40 °C resulted in a 96% decrease in resistance. Additionally, the ink printed at 100 °C with propylamine achieved state-of-the-art conductivity equivalent to 80% of bulk silver’s conductivity. The results confirm that slower complexing agent evaporation rates lead to denser silver with significantly lower resistances. This work introduces a unique strategy for enhancing ink performance that differs from conventional methods such as elevated temperatures, ink chemistry alterations, or postprocessing. The significantly improved low-temperature performance may broaden the applications of reactive silver inks and inspire future strategies that leverage suppressed complexing agent evaporation.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"6 11","pages":"7950–7959 7950–7959"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142719571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Defect Engineering of Ferroelectric Hysteresis in Lead-Free Bi1/2(Na,K)1/2TiO3 Thin Films 无铅 Bi1/2(Na,K)1/2TiO3 薄膜铁电磁滞的缺陷工程学
IF 4.3 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-11-05 DOI: 10.1021/acsaelm.4c0157110.1021/acsaelm.4c01571
Muhammad Sheeraz, Viet-Dung Tran, Yong Jin Jo, Gyehyeon Kim, Shinuk Cho, Changhee Sohn, Ill Won Kim, Young-Han Shin*, Chang Won Ahn* and Tae Heon Kim*, 
{"title":"Defect Engineering of Ferroelectric Hysteresis in Lead-Free Bi1/2(Na,K)1/2TiO3 Thin Films","authors":"Muhammad Sheeraz,&nbsp;Viet-Dung Tran,&nbsp;Yong Jin Jo,&nbsp;Gyehyeon Kim,&nbsp;Shinuk Cho,&nbsp;Changhee Sohn,&nbsp;Ill Won Kim,&nbsp;Young-Han Shin*,&nbsp;Chang Won Ahn* and Tae Heon Kim*,&nbsp;","doi":"10.1021/acsaelm.4c0157110.1021/acsaelm.4c01571","DOIUrl":"https://doi.org/10.1021/acsaelm.4c01571https://doi.org/10.1021/acsaelm.4c01571","url":null,"abstract":"<p >Exotic physical phenomena in solids emerge with changes of nonlinear responses (e.g., polarization hysteresis under an electric field) of order parameters to external stimuli. In epitaxial ferroelectric films, polar ordering states of electric dipole moments cooperate with local disorder originating from thickness-dependent mitigation of misfit strain inherently and/or chemical off-stoichiometry extrinsically. The mutual interaction of electric polarization with both intrinsic and extrinsic factors in ferroelectric thin films produces sizable modification of ferroelectric hysteretic characteristics. Herein, we demonstrate defect-induced manipulation of ferroelectric hysteresis in epitaxial Bi<sub>1/2</sub>(Na,K)<sub>1/2</sub>TiO<sub>3</sub> films. Notably, pinched hysteresis loops and linked double switching current behaviors are observed with the formation of screw dislocations on the surfaces of lead-free ferroelectric films grown at high temperatures. Plausibly, structural transitions of tetragonal phases to rhombohedral-like monoclinic symmetry driven by Na enrichment enable the appearance of ferroelastic domain variants, of which screw dislocations can be created to accommodate local stress at the boundaries. Polarization switching at the dislocation-mediated ferroelastic domain walls has been also limited and thereby, single ferroelectric hysteresis loops evolve to double-like hysteresis loops. Our result of defect-engineered ferroelectric hysteresis is of potential interest for designing advanced electronic devices such as functional energy storage and harvesters with high performance.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"6 11","pages":"8328–8338 8328–8338"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142713575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
TEMPO-Assisted Thermal and Catalytic Cracking of 3-Carene and JP-10 to Produce Low-Molecular-Weight Hydrocarbons TEMPO 辅助热和催化裂解 3-蒈烯和 JP-10 以生产低分子量碳氢化合物
IF 3.8 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-11-04 DOI: 10.1021/acs.iecr.4c0170610.1021/acs.iecr.4c01706
Satya Priyadarshi, Subhan Pal and Ravikrishnan Vinu*, 
{"title":"TEMPO-Assisted Thermal and Catalytic Cracking of 3-Carene and JP-10 to Produce Low-Molecular-Weight Hydrocarbons","authors":"Satya Priyadarshi,&nbsp;Subhan Pal and Ravikrishnan Vinu*,&nbsp;","doi":"10.1021/acs.iecr.4c0170610.1021/acs.iecr.4c01706","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01706https://doi.org/10.1021/acs.iecr.4c01706","url":null,"abstract":"<p >This study investigates the effect of combining a free-radical initiator, TEMPO (2,2,6,6-tetramethyl-1-piperidinyloxy), and a zeolite catalyst (HY) on the pyrolysis of JP-10 (exotetrahydrodicyclopentadiene) and 3-carene (3,7,7-trimethylbicyclo [4.1.0] hept-3-ene) for their use as endothermic hydrocarbon fuels. Analytical fast pyrolysis experiments were conducted at 445, 590, and 764 °C in a curie point pyrolyzer hyphenated with a gas chromatograph/mass spectrometer. The experiments explored different cracking methods: noncatalytic pyrolysis, free-radical initiator-assisted pyrolysis, zeolite (HY)-assisted pyrolysis, and a combined approach using both HY zeolite and TEMPO, for the pyrolysis of JP-10 and 3-carene. The results demonstrate that the combination of TEMPO and HY enhances the yield of low-molecular-weight (LMW) hydrocarbons compared to thermal cracking or cracking with either initiator or zeolite alone, especially at a low temperature. For JP-10, the TEMPO + HY-assisted cracking at 445 °C resulted in a combined LMW alkane and alkene yield of 19%, which is considerably higher than that achieved with HY-assisted cracking (14%) and TEMPO-assisted cracking (2%). Similarly, the TEMPO + HY-assisted pyrolysis of 3-carene at 445 °C produced ∼17% yield of LMW hydrocarbons, which was higher than the yields achieved using either TEMPO alone (1%) or HY alone (12%). Plausible free-radical reactions were proposed based on the detected products. The findings suggest that TEMPO can be an effective additive for enhancing the yield of LMW hydrocarbons from jet fuels for endothermic fuel applications.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"63 45","pages":"19435–19448 19435–19448"},"PeriodicalIF":3.8,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Degradation of Rhodamine B by Visible Light Driven MoO3@TiO2 Core–Shell Photocatalyst 可见光驱动的 MoO3@TiO2 核壳光催化剂降解罗丹明 B
IF 3.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-11-04 DOI: 10.1021/acs.langmuir.4c0333310.1021/acs.langmuir.4c03333
Hejin Liu, Peng Qiao, Ying Liu, Xin Guo, Yanxiu Liu, Hua Song, Xueqin Wang* and Wenyi Wang*, 
{"title":"Degradation of Rhodamine B by Visible Light Driven MoO3@TiO2 Core–Shell Photocatalyst","authors":"Hejin Liu,&nbsp;Peng Qiao,&nbsp;Ying Liu,&nbsp;Xin Guo,&nbsp;Yanxiu Liu,&nbsp;Hua Song,&nbsp;Xueqin Wang* and Wenyi Wang*,&nbsp;","doi":"10.1021/acs.langmuir.4c0333310.1021/acs.langmuir.4c03333","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c03333https://doi.org/10.1021/acs.langmuir.4c03333","url":null,"abstract":"<p >In this study, a MoO<sub>3</sub>@TiO<sub>2</sub> composite core–shell material was developed to remove Rhodamine B (RhB) dye through synergistic adsorption and photocatalytic degradation. n–n heterostructures were formed by coupling n-type semiconductors to enhance the efficiency of photocarrier separation and photocatalytic performance. MoO<sub>3</sub>, which possesses strong adsorption capacity, was primarily used as a dye adsorbent. Additionally, the formation of an n–n heterojunction with TiO<sub>2</sub> enabled MoO<sub>3</sub> to expand the photocorresponding range of TiO<sub>2</sub>, leading to the generation of superoxide (O<sub>2</sub><sup>•</sup>) and hydroxyl (<sup>•</sup>OH) free radicals for dye degradation. The experimental results demonstrate that the MoO<sub>3</sub>@TiO<sub>2</sub> core–shell composite exhibits excellent performance for RhB dye removal, with adsorption and degradation rates reaching 35.7 and 70.3%, respectively, even at low catalyst concentrations. This approach offers new insights into the development of MoO<sub>3</sub> core–shell photocatalysts.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"40 45","pages":"24029–24036 24029–24036"},"PeriodicalIF":3.7,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Analysis of Leaky Integrate-and-Fire Neuron Using Al2O3/Si3N4 Gate Insulator Stack for Spiking Neural Network 利用用于尖峰神经网络的 Al2O3/Si3N4 栅极绝缘体叠层分析漏电积分与发射神经元
IF 4.3 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-11-04 DOI: 10.1021/acsaelm.4c0140810.1021/acsaelm.4c01408
Min-Kyu Park, Joon Hwang, Jonghyun Ko, Jeonghyun Kim, Jong-Ho Bae and Jong-Ho Lee*, 
{"title":"Analysis of Leaky Integrate-and-Fire Neuron Using Al2O3/Si3N4 Gate Insulator Stack for Spiking Neural Network","authors":"Min-Kyu Park,&nbsp;Joon Hwang,&nbsp;Jonghyun Ko,&nbsp;Jeonghyun Kim,&nbsp;Jong-Ho Bae and Jong-Ho Lee*,&nbsp;","doi":"10.1021/acsaelm.4c0140810.1021/acsaelm.4c01408","DOIUrl":"https://doi.org/10.1021/acsaelm.4c01408https://doi.org/10.1021/acsaelm.4c01408","url":null,"abstract":"<p >Leaky integrate-and-fire (LIF)-based spiking neural networks (SNNs) are analyzed using a field-effect transistor (FET)-type neuron device with a charge trap insulator stack (Al<sub>2</sub>O<sub>3</sub>/Si<sub>3</sub>N<sub>4</sub>). By using both the memory functionality and the poor retention characteristic of the device, we successfully implemented the LIF function. SPICE modeling of the device and LIF circuit demonstrated that the large membrane capacitor in a neuron circuit could be replaced, which promises a smaller area and lower energy consumption (∼0.3 pJ/spike). Based on the measured properties, spiking neural networks are simulated to find the optimal leaky constant while maintaining a low operational voltage.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"6 11","pages":"7728–7733 7728–7733"},"PeriodicalIF":4.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142713571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 and Application of Joule Heating Processes for Decarbonized Chemical and Advanced Material Synthesis 脱碳化学和先进材料合成焦耳加热工艺的设计与应用
IF 3.8 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-11-04 DOI: 10.1021/acs.iecr.4c0246010.1021/acs.iecr.4c02460
Anthony Griffin, Mark Robertson, Zoe Gunter, Amy Coronado, Yizhi Xiang and Zhe Qiang*, 
{"title":"Design and Application of Joule Heating Processes for Decarbonized Chemical and Advanced Material Synthesis","authors":"Anthony Griffin,&nbsp;Mark Robertson,&nbsp;Zoe Gunter,&nbsp;Amy Coronado,&nbsp;Yizhi Xiang and Zhe Qiang*,&nbsp;","doi":"10.1021/acs.iecr.4c0246010.1021/acs.iecr.4c02460","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c02460https://doi.org/10.1021/acs.iecr.4c02460","url":null,"abstract":"<p >Atmospheric CO<sub>2</sub> concentrations keep increasing at intensifying rates due to rising energy and material demands. The chemical production industry is a large energy consumer, responsible for up to 935 Mt of CO<sub>2</sub> emissions per year, and decarbonization is its major goal moving forward. One of the primary sources of energy consumption and CO<sub>2</sub> emissions in the chemical sector is associated with the production and use of heat for material synthesis, which conventionally was generated through the combustion of fossil fuels. To address this grand challenge, Joule heating has emerged as an alternative heating method that greatly increases process efficiency, reducing both energy consumption and greenhouse gas emissions. In this Review, we discuss the key concepts that govern these Joule heating processes including material selection and reactor design, as well as the current state-of-the-art in the literature for employing these processes to synthesize commodity chemicals along with advanced materials such as graphene, metal species, and metal carbides. Finally, we provide a perspective on future research avenues within this field, which can facilitate the widespread adoption of Joule heating for decarbonizing industrial processes.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"63 45","pages":"19398–19417 19398–19417"},"PeriodicalIF":3.8,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.iecr.4c02460","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Designing Amine-Based Capture Units Onboard LNG-Run Ships 设计液化天然气运行船舶上的胺基捕获装置
IF 3.8 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-11-04 DOI: 10.1021/acs.iecr.4c0194710.1021/acs.iecr.4c01947
Anikesh Kumar, Preethi Sridhar, Shamsuzzaman Farooq* and Iftekhar A. Karimi*, 
{"title":"Designing Amine-Based Capture Units Onboard LNG-Run Ships","authors":"Anikesh Kumar,&nbsp;Preethi Sridhar,&nbsp;Shamsuzzaman Farooq* and Iftekhar A. Karimi*,&nbsp;","doi":"10.1021/acs.iecr.4c0194710.1021/acs.iecr.4c01947","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c01947https://doi.org/10.1021/acs.iecr.4c01947","url":null,"abstract":"<p >Efficient CO<sub>2</sub> capture onboard ships is a vital step in mitigating maritime emissions. In our previous work, we showed that amine-based absorption is the best prospect for onboard capture, and ships powered by LNG are better suited than those using HFO. Hence, in this work, an extensive design for amine-based absorption onboard LNG-run ships with different flue gas conditions (flow rate, temperature, and composition) as well as maximum CO<sub>2</sub> storage capacity and number of days at sea is presented. The design comprises discussions on the selection of key variables for separation, e.g., the dimensions of the absorber and regenerator column and solvent flow rate, as well as the selection of optimal CO<sub>2</sub> storage conditions. Additionally, the best configuration for cold energy integration to minimize the extra power demand for the CO<sub>2</sub> compression is also assessed. The design is based on 90% recovery of CO<sub>2</sub> from the total flue gas to be processed, including emissions stemming from extra fuel burned to fulfill the energy deficit for solvent regeneration and the power demand for CO<sub>2</sub> compression. To this end, a novel noniterative approach to calculate total flue gas to be processed as a function of the flue gas conditions under optimized design conditions is also developed. Lastly, cargo losses from the installation of the capture unit are also presented. In summary, the study intends to provide ship owners with a comprehensive design guide for the installation of an amine-based absorption unit. To illustrate the utility of the study, case studies are presented using reference ships available in the literature.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"63 45","pages":"19600–19612 19600–19612"},"PeriodicalIF":3.8,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Polyethylenimine-Supported rGO Conformal Coating over AgNWs to Fabricate Strongly Stable and Flexible Transparent Heaters 以聚乙烯亚胺为支撑的 rGO 共形涂层覆盖在 AgNWs 上,从而制造出具有强稳定性和柔韧性的透明加热器
IF 4.3 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-11-04 DOI: 10.1021/acsaelm.4c0162510.1021/acsaelm.4c01625
Parinita Changkakoty, Esther Dimngaihvungi, Manjeet Singh*, Atul Kumar Singh and Ashish Kumar Singh*, 
{"title":"Polyethylenimine-Supported rGO Conformal Coating over AgNWs to Fabricate Strongly Stable and Flexible Transparent Heaters","authors":"Parinita Changkakoty,&nbsp;Esther Dimngaihvungi,&nbsp;Manjeet Singh*,&nbsp;Atul Kumar Singh and Ashish Kumar Singh*,&nbsp;","doi":"10.1021/acsaelm.4c0162510.1021/acsaelm.4c01625","DOIUrl":"https://doi.org/10.1021/acsaelm.4c01625https://doi.org/10.1021/acsaelm.4c01625","url":null,"abstract":"<p >Recently, reduced graphene oxide (rGO)-overcoated AgNW films have emerged as high-quality flexible transparent electrodes (FTEs). Although the rGO overcoating provides stability against AgNW oxidation and adds some conductivity to the FTE, poor adhesion of rGO with AgNWs remains a challenge to fabricate a high-quality and ultrastable AgNW-based FTE. Due to the large flake size of rGO and its hydrophobic nature, it tends to aggregate when suspended in the water to make ink for coating, which inhibits the formation of a strong conformal coating around the surface of AgNWs. In order to achieve a strong conformal coating over the AgNWs and to increase the adhesion of rGO with AgNWs, a high-quality ink solution of rGO is desirable. In this work, an ink solution of probe-sonicated nanoscale rGO in water is prepared with the support of polyethylenimine (PEI). The electrostatic interactions between rGO and PEI resulted in a suspension that remained stable for several months. The rGO–PEI overcoating ensures uniform coverage of AgNWs, thus providing high conductivity and exceptional stability to the AgNW-based FTE. The PEI-supported rGO coating over the AgNW network delivered a FTE with a sheet resistance (<i>R</i><sub>s</sub>) of 18.4 ± 0.92 Ω/sq with 85% transmittance at 550 nm. The flexible transparent heater using FTE prepared on the PET substrate demonstrated excellent transparent heater properties and exhibited a temperature increase up to 160 °C in 60 s at an applied voltage of only 4 V, which is very suitable for antifogging applications on any curved object.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"6 11","pages":"8424–8436 8424–8436"},"PeriodicalIF":4.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142719522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Fatigue Behavior of Polymer Nanocomposites under Low-Strain Cyclic Loading: Insights from Molecular Dynamics Simulation 聚合物纳米复合材料在低应变循环加载下的疲劳行为:分子动力学模拟的启示
IF 3.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-11-04 DOI: 10.1021/acs.langmuir.4c0276910.1021/acs.langmuir.4c02769
Tongkui Yue, Hengheng Zhao, Jiajun Qu, Liqun Zhang and Jun Liu*, 
{"title":"Fatigue Behavior of Polymer Nanocomposites under Low-Strain Cyclic Loading: Insights from Molecular Dynamics Simulation","authors":"Tongkui Yue,&nbsp;Hengheng Zhao,&nbsp;Jiajun Qu,&nbsp;Liqun Zhang and Jun Liu*,&nbsp;","doi":"10.1021/acs.langmuir.4c0276910.1021/acs.langmuir.4c02769","DOIUrl":"https://doi.org/10.1021/acs.langmuir.4c02769https://doi.org/10.1021/acs.langmuir.4c02769","url":null,"abstract":"<p >Understanding the structural evolution and bond-breaking behavior under cyclic loading is crucial for designing polymer nanocomposites (PNCs) with superior fatigue resistance. Coarse-grained models of PNCs filled with spherical carbon black nanoparticles (NPs) at varying filling fractions of φ were successfully constructed using molecular dynamics simulations. Structural and dynamic simulation results reveal that higher φ leads to increased aggregation of NPs and markedly restricts the relaxation behavior of the polymer matrix. Subsequently, fatigue testing of PNCs was conducted under low-strain cyclic tensile deformation, and the real-time bond-breaking behavior was tracked. The decay behavior of the bond number autocorrelation function was found to be accurately described by the KWW equation, enabling precise determination of the characteristic lifetime τ<sub><i>f</i></sub>. With increasing φ, the dominant factor influencing bond-breaking behavior gradually shifts from the polymer network, including entanglements and cross-linking networks, to the filler network. This suggests the presence of a critical filling fraction φ<sub><i>c</i></sub> where τ<sub><i>f</i></sub> is maximized. For low-strain failure mechanisms, temperature field observations at varying cycles reveal that localized temperature rise emerges as the predominant factor. Furthermore, the mobility of both polymers and NPs increases with cycles. Specifically, the diffusion coefficient of polymer monomers shows a clear power-law relationship with the bond-breaking rate, characterized by <i></i><math><mi>D</mi><mo>∼</mo><msup><msub><mi>f</mi><mi>broken</mi></msub><mn>1.5</mn></msup></math>. Finally, the stiffness of polymer chains significantly influences the fatigue behavior, evidenced by an initial increase followed by a decrease in the τ<sub><i>f</i></sub> with increasing bending energy <i>k</i>. This behavior is attributed to the competitive relationship between high entanglement density at low <i>k</i> and enhanced preorientation at high <i>k</i>. In summary, this study provides a general paradigm for describing failure behavior under cyclic deformation and offers insights into fatigue mechanisms at the molecular level, thereby guiding the development of improved fatigue-resistant PNCs.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"40 45","pages":"23816–23824 23816–23824"},"PeriodicalIF":3.7,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608612","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Thermally Bisignate Anion Responsive Supramolecular Gel and In Situ Generation of a Conductive Hybrid-Gel Nanocomposite 热双键阴离子响应超分子凝胶和原位生成导电混合凝胶纳米复合材料
IF 3.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2024-11-04 DOI: 10.1021/acs.langmuir.4c0347010.1021/acs.langmuir.4c03470
Oiyao Appun Pegu,  and , Gopal Das*, 
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