Pub Date : 2024-05-02DOI: 10.1149/2162-8777/ad4677
Youjung Kim, Jinhyun Lee, Jin-Kyo Seo, H. Han, Inseong Hwang, S. Yoon, Bongyoung Yoo
Ru deposition in advanced technology nodes can improve performance by providing low resistance in nanoscale features. In this study, we reported the electrochemical reactions of Ru3+ on an Ru surface using multi-cyclic voltammetry (CV) and behavior of additives during Ru electrodeposition using linear sweep voltammetry (LSV) and potentiostatic measurements. Disodium 3,3'-dithiobis(1-propanesulfonate) (SPS), polyvinylpyrrolidone (PVP), and a bromide ion (Br-) were added for bottom-up filling. We investigated the suppression behavior of PVP. The current density and the onset potential of suppressor breakdown were affected by the suppressor concentration. PVP interacted synergistically with Br- and showed additional suppression. PVP formed a suppressing layer with Br- after formation of a bromide layer. SPS could reduce roughness during electrodeposition of Ru. Based on these results, nano-trenches were filled with Ru using the optimized additive condition.
{"title":"Electrodeposition of Ru on Nanoscale Trench Patterns","authors":"Youjung Kim, Jinhyun Lee, Jin-Kyo Seo, H. Han, Inseong Hwang, S. Yoon, Bongyoung Yoo","doi":"10.1149/2162-8777/ad4677","DOIUrl":"https://doi.org/10.1149/2162-8777/ad4677","url":null,"abstract":"\u0000 Ru deposition in advanced technology nodes can improve performance by providing low resistance in nanoscale features. In this study, we reported the electrochemical reactions of Ru3+ on an Ru surface using multi-cyclic voltammetry (CV) and behavior of additives during Ru electrodeposition using linear sweep voltammetry (LSV) and potentiostatic measurements. Disodium 3,3'-dithiobis(1-propanesulfonate) (SPS), polyvinylpyrrolidone (PVP), and a bromide ion (Br-) were added for bottom-up filling. We investigated the suppression behavior of PVP. The current density and the onset potential of suppressor breakdown were affected by the suppressor concentration. PVP interacted synergistically with Br- and showed additional suppression. PVP formed a suppressing layer with Br- after formation of a bromide layer. SPS could reduce roughness during electrodeposition of Ru. Based on these results, nano-trenches were filled with Ru using the optimized additive condition.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141022518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-02DOI: 10.1149/2162-8777/ad467a
A. Ashery, Samia Gad, G. Turky
We present a novel structure of PA-GO composite /MnO2/Fe3O4/n-Si arranged by simple technique and examined by scanning electron microscope, X-ray diffraction, and Raman spectroscopy. The negative dielectric constant appeared for all voltages at frequencies of 103, 102, 10 Hz, proving that the dielectric constant has negative values only at frequencies above one megahertz 106Hz. Also, the dielectric loss has negative values with temperature at all voltages and high frequencies. This structure also has a low dielectric loss tangent from 4 to 50 with all voltages and temperatures and high rectification ratio reach to 1200 times, and high Rj. The performance of dielectric constant, dielectric loss, and dielectric loss tangent depend on the change of frequencies and voltages. The electrical properties of this structure were examined by conventional, dv/dlnI, and the Nord and Cheung method. The ideality factor fluctuates between 3.09 and 3.29, and the barrier height is in the range of 0.56 to 0.58 at room temperature. We found similar results using different methods of measuring the electrical properties. This indicates that the structure is a promising material for preparing diodes, supercapacitor, and high storage devices.
{"title":"Negative Dielectric Constant in Novel Structure of PA-GO Composite /MnO2/Fe3O4/n-Si","authors":"A. Ashery, Samia Gad, G. Turky","doi":"10.1149/2162-8777/ad467a","DOIUrl":"https://doi.org/10.1149/2162-8777/ad467a","url":null,"abstract":"\u0000 We present a novel structure of PA-GO composite /MnO2/Fe3O4/n-Si arranged by simple technique and examined by scanning electron microscope, X-ray diffraction, and Raman spectroscopy. The negative dielectric constant appeared for all voltages at frequencies of 103, 102, 10 Hz, proving that the dielectric constant has negative values only at frequencies above one megahertz 106Hz. Also, the dielectric loss has negative values with temperature at all voltages and high frequencies. This structure also has a low dielectric loss tangent from 4 to 50 with all voltages and temperatures and high rectification ratio reach to 1200 times, and high Rj. The performance of dielectric constant, dielectric loss, and dielectric loss tangent depend on the change of frequencies and voltages. The electrical properties of this structure were examined by conventional, dv/dlnI, and the Nord and Cheung method. The ideality factor fluctuates between 3.09 and 3.29, and the barrier height is in the range of 0.56 to 0.58 at room temperature. We found similar results using different methods of measuring the electrical properties. This indicates that the structure is a promising material for preparing diodes, supercapacitor, and high storage devices.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141021679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-02DOI: 10.1149/2162-8777/ad4678
Kihong Park, Wookyung Jeon, Pengzhan Liu, Sang-Hyuk Jeon, Seokjun Hong, Sanghyeon Park, Taesung Kim
As a trend of using colloidal and smaller ceria nanoparticles (CNPs) at the shallow trench isolation (STI) chemical mechanical polishing (CMP) in semiconductor manufacturing, post-CMP cleaning challenges in the removal of residual CNPs on the SiO2 film surface became much more challenging. We investigated the reduction/oxidation of ceria nanoparticles (CNPs) by hydrogen gas-dissolved water (H2 GDW), carbon dioxide gas-dissolved water (CO2 GDW), and oxygen gas-dissolved water (O2 GDW). The concentration of Ce3+ on the CNPs changed from 18.64% to 19.48%, 20.31% to 21.94%, and 21.27% to 19.22%, respectively, after immersion in H2 GDW, CO2 GDW, and O2 GDW for 3 to 12 h. Following the Ce3+ concentration of the CNP surface, adhesion energies between CNPs immersed in H2 GDW, CO2 GDW, and O2 GDW for 6 hours with SiO2 surface were 6.06E-16 J, 6.18E-16 J, and 4.83E-16 J. Cleaning experiments under megasonic conditions revealed the efficacy of H2 GDW and O2 GDW in removing residual CNPs from SiO2 surfaces. The residual cerium (Ce) ion concentrations remaining on the SiO2 film surface after cleaning, were 0.06, 0.41, and 0.10 ppb for H2 GDW, CO2 GDW, and O2 GDW, respectively.
{"title":"Effects of Gas-Dissolved Water for Ceria Nanoparticles on the SiO2 Film Surface in Post-CMP Cleaning","authors":"Kihong Park, Wookyung Jeon, Pengzhan Liu, Sang-Hyuk Jeon, Seokjun Hong, Sanghyeon Park, Taesung Kim","doi":"10.1149/2162-8777/ad4678","DOIUrl":"https://doi.org/10.1149/2162-8777/ad4678","url":null,"abstract":"\u0000 As a trend of using colloidal and smaller ceria nanoparticles (CNPs) at the shallow trench isolation (STI) chemical mechanical polishing (CMP) in semiconductor manufacturing, post-CMP cleaning challenges in the removal of residual CNPs on the SiO2 film surface became much more challenging. We investigated the reduction/oxidation of ceria nanoparticles (CNPs) by hydrogen gas-dissolved water (H2 GDW), carbon dioxide gas-dissolved water (CO2 GDW), and oxygen gas-dissolved water (O2 GDW). The concentration of Ce3+ on the CNPs changed from 18.64% to 19.48%, 20.31% to 21.94%, and 21.27% to 19.22%, respectively, after immersion in H2 GDW, CO2 GDW, and O2 GDW for 3 to 12 h. Following the Ce3+ concentration of the CNP surface, adhesion energies between CNPs immersed in H2 GDW, CO2 GDW, and O2 GDW for 6 hours with SiO2 surface were 6.06E-16 J, 6.18E-16 J, and 4.83E-16 J. Cleaning experiments under megasonic conditions revealed the efficacy of H2 GDW and O2 GDW in removing residual CNPs from SiO2 surfaces. The residual cerium (Ce) ion concentrations remaining on the SiO2 film surface after cleaning, were 0.06, 0.41, and 0.10 ppb for H2 GDW, CO2 GDW, and O2 GDW, respectively.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141022842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We propose a continuous fabrication method for HfO2-based gate stacks on a Ge bulk p-type metal–oxide–semiconductor capacitor (pMOSCAP) with HfGeOx interfacial layer by H2 plasma treatment through in situ plasma-enhanced atomic layer deposition. The electrical characteristics showed that the proper hydrogen plasma treatment could obtain an aggressively scaled equivalent oxide thickness of approximately 0.55 nm and a relatively low gate leakage current of 8 × 10-4 A/cm2 under PMA 500C.
{"title":"Tunable EOT Scaling Down to 0. 55 nm for HfO2-Based Gate-Stacks on Ge Substrate by In Situ H2 Plasma Treatment","authors":"Hui-Hsuan Li, Shang-Chiun Chen, YuHsien Lin, ChaoHsin Chien","doi":"10.1149/2162-8777/ad430a","DOIUrl":"https://doi.org/10.1149/2162-8777/ad430a","url":null,"abstract":"\u0000 We propose a continuous fabrication method for HfO2-based gate stacks on a Ge bulk p-type metal–oxide–semiconductor capacitor (pMOSCAP) with HfGeOx interfacial layer by H2 plasma treatment through in situ plasma-enhanced atomic layer deposition. The electrical characteristics showed that the proper hydrogen plasma treatment could obtain an aggressively scaled equivalent oxide thickness of approximately 0.55 nm and a relatively low gate leakage current of 8 × 10-4 A/cm2 under PMA 500C.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140662328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-04-24DOI: 10.1149/2162-8777/ad430b
D. Kabouchi, Z. Fadil, R. El Fdil, C. Raorane, B. Kabouchi, A. Mhirech, E. Salmani, S. Kim, A. M. Tighezza, P. Rosesaih
The current investigation employs Monte Carlo simulations to explore the magnetic features of a Fullerene-dimer-like nanostructure (C60)2 characterized by the spin σ-1. It explores how the coupling interaction Jσ, the biquadratic parameter K, the external magnetic H and the crystal D fields influence the thermal and magnetic features of the nanostructure, particularly the blocking temperature (TB). The results also highlight the dependence of hysteresis cycles and the coercive magnetic field Hc on the values of Jσ, K, and D, with significant variations at lower temperatures. The findings indicate the distinctive magnetic behavior of the Fullerene-dimer-like nanostructure (C60)2 potentially useful in various technological applications.
目前的研究采用蒙特卡罗模拟来探索以自旋σ-1 为特征的富勒烯二聚体类纳米结构 (C60)2 的磁性特征。它探讨了耦合相互作用 Jσ、双二次参数 K、外磁 H 和晶体 D 场如何影响纳米结构的热特性和磁特性，尤其是阻塞温度 (TB)。研究结果还强调了磁滞周期和矫顽力磁场 Hc 对 Jσ、K 和 D 值的依赖性，在较低温度下变化显著。研究结果表明，富勒烯二聚体类纳米结构 (C60)2 具有独特的磁性行为，可用于各种技术应用。
{"title":"Investigation of the Magnetic Features of the Fullerene-Dimer-Like Nanostructure (C60)2: A Monte Carlo Study","authors":"D. Kabouchi, Z. Fadil, R. El Fdil, C. Raorane, B. Kabouchi, A. Mhirech, E. Salmani, S. Kim, A. M. Tighezza, P. Rosesaih","doi":"10.1149/2162-8777/ad430b","DOIUrl":"https://doi.org/10.1149/2162-8777/ad430b","url":null,"abstract":"\u0000 The current investigation employs Monte Carlo simulations to explore the magnetic features of a Fullerene-dimer-like nanostructure (C60)2 characterized by the spin σ-1. It explores how the coupling interaction Jσ, the biquadratic parameter K, the external magnetic H and the crystal D fields influence the thermal and magnetic features of the nanostructure, particularly the blocking temperature (TB). The results also highlight the dependence of hysteresis cycles and the coercive magnetic field Hc on the values of Jσ, K, and D, with significant variations at lower temperatures. The findings indicate the distinctive magnetic behavior of the Fullerene-dimer-like nanostructure (C60)2 potentially useful in various technological applications.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140664869","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-04-23DOI: 10.1149/2162-8777/ad4239
Dinesh M A, Vinay Kumar, Raghvendra Kumar, Vibha Rani Gupta, Subramanian Venkatachalam, V. Dayal
This work aims to fabricate a single-feed line Cylindrical Dielectric Resonator Antenna (CDRA) using low-temperature sintered Li3MgNbO5 microwave dielectric ceramic as a resonator, excited in HEM11ẟ mode. The ceramic synthesized using the conventional solid-state route resulted in a single-phase material exhibiting a cubic structure with an Fm-3m space group. The densely packed cylindrical disk of the ceramic was subsequently characterized for its microwave dielectric behaviour in TE01δ mode using the Hakki-Coleman method. The dielectric permittivity (εr) measures 14.4, with a loss factor (tan δ) nearly equal to 4.01×10-4 and a temperature coefficient (τf) of -50.9 ppm/°C. The antenna design was executed using the high-frequency structure simulator design software, utilizing the dielectric ceramic as the resonator, Cu strip as the feedline, and FR4 as the substrate. The maximum energy was coupled to the antenna when the resonator was placed at 11.75 mm on the substrate. The fabricated CDRA, using appropriate simulated parameters, resonated at 7.67 GHz, offering a return loss (S11) of -32.64 dB and an impedance bandwidth of 10.73%. Furthermore, the CDRA displayed a voltage standing wave ratio of 1.04, ensuring a nearby ideal impedance match and a bandwidth of 810 MHz to support high-speed data transmission.
{"title":"Investigating a Cylindrical Dielectric Resonator Antenna Fabricated with Li3MgNbO5 Microwave Dielectric Ceramic","authors":"Dinesh M A, Vinay Kumar, Raghvendra Kumar, Vibha Rani Gupta, Subramanian Venkatachalam, V. Dayal","doi":"10.1149/2162-8777/ad4239","DOIUrl":"https://doi.org/10.1149/2162-8777/ad4239","url":null,"abstract":"\u0000 This work aims to fabricate a single-feed line Cylindrical Dielectric Resonator Antenna (CDRA) using low-temperature sintered Li3MgNbO5 microwave dielectric ceramic as a resonator, excited in HEM11ẟ mode. The ceramic synthesized using the conventional solid-state route resulted in a single-phase material exhibiting a cubic structure with an Fm-3m space group. The densely packed cylindrical disk of the ceramic was subsequently characterized for its microwave dielectric behaviour in TE01δ mode using the Hakki-Coleman method. The dielectric permittivity (εr) measures 14.4, with a loss factor (tan δ) nearly equal to 4.01×10-4 and a temperature coefficient (τf) of -50.9 ppm/°C. The antenna design was executed using the high-frequency structure simulator design software, utilizing the dielectric ceramic as the resonator, Cu strip as the feedline, and FR4 as the substrate. The maximum energy was coupled to the antenna when the resonator was placed at 11.75 mm on the substrate. The fabricated CDRA, using appropriate simulated parameters, resonated at 7.67 GHz, offering a return loss (S11) of -32.64 dB and an impedance bandwidth of 10.73%. Furthermore, the CDRA displayed a voltage standing wave ratio of 1.04, ensuring a nearby ideal impedance match and a bandwidth of 810 MHz to support high-speed data transmission.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140669703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-04-23DOI: 10.1149/2162-8777/ad423b
Mohammed Al-Bujasim, Metin Gençten, K. B. Dönmez, M. B. Arvas, N. Karatepe, Y. Şahin
In this study, N-doped graphene oxide-polypyrrole-silica (NGO-PPy-SiO2) composite was employed as a possible anode in Li-ion batteries. The chronoamperometric technique was employed to synthesize NGO, and within this study two samples were produced, one characterized by a high polypyrrle content (N1) and the other by a low polypyrrle content (N2). N2 has the maximum initial discharge capacity of 785 mAh/g at 0.1C, which is greater than N1's capacity of 501 mAh/g. The initial coulombic efficiency of the first cycle is around 72%, whereas the ICE of N2 is approximately 60%. N1 demonstrates outstanding cycling performance for 100 cycles at high rate (10 C) with maintain capacity as 100% and coulombic efficiency of 100%, as well as extremely stable capacity during the cycling. N2 has a maintain capacity of ≈ 79% and excellent coulombic efficiency, however the capacity during cycling is not as stable as N1.
{"title":"A Tripartite Composite Incorporating Nitrogen-Doped Graphene Oxide, Polypyrrole, and Silica for Lithium-Ion Battery Anodes","authors":"Mohammed Al-Bujasim, Metin Gençten, K. B. Dönmez, M. B. Arvas, N. Karatepe, Y. Şahin","doi":"10.1149/2162-8777/ad423b","DOIUrl":"https://doi.org/10.1149/2162-8777/ad423b","url":null,"abstract":"\u0000 In this study, N-doped graphene oxide-polypyrrole-silica (NGO-PPy-SiO2) composite was employed as a possible anode in Li-ion batteries. The chronoamperometric technique was employed to synthesize NGO, and within this study two samples were produced, one characterized by a high polypyrrle content (N1) and the other by a low polypyrrle content (N2). N2 has the maximum initial discharge capacity of 785 mAh/g at 0.1C, which is greater than N1's capacity of 501 mAh/g. The initial coulombic efficiency of the first cycle is around 72%, whereas the ICE of N2 is approximately 60%. N1 demonstrates outstanding cycling performance for 100 cycles at high rate (10 C) with maintain capacity as 100% and coulombic efficiency of 100%, as well as extremely stable capacity during the cycling. N2 has a maintain capacity of ≈ 79% and excellent coulombic efficiency, however the capacity during cycling is not as stable as N1.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140667460","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-04-23DOI: 10.1149/2162-8777/ad423a
Yanyan Zhang, Weifeng Sun
Various analytical methods were employed to elucidate the effects of filling nano-calcium-silicate or nano-silica on the electronic property, water-uptake, and thermal stability of an amine-crosslinked epoxy (EP) polymer. Molecular-mixture models consisting of a nanofiller or several calcium ions and EP crosslinked macro-molecules were used to simulate local regions of nanofiller/matrix interface or ion-infiltrated matrix, calculating their density of electron-states by first-principles method to determine whether and how the nanofillers introduce charge traps into EP matrix. Calcium cations on nanofiller surface dissociate away from coordinating with silicon-oxygen tetrahedron and infiltrate into void spaces in EP matrix, leaving a larger free volume at filler/matrix interface than in matrix. Calcium cations dissolved in EP matrix adsorbed in the low electrostatic potential region or coordinate with carbonyl groups in EP matrix and thus introduce a miniband of deep electron traps at energy levels >1eV lower than conduction band minimum of the amine-crosslinked EP polymer. Even at room temperature, thermal vibrations can break coordinate bonds between calcium cations and silicon-oxygen framework on calcium-silicate nanofiller surface and make considerable calcium ions infiltrating void spaces within EP matrix, leading to comprehensive improvements of cohesive energy, thermal stability, and charge trapping ability in the calcium-silicate/EP nanocomposite.
采用多种分析方法阐明了填充纳米硅酸钙或纳米二氧化硅对胺交联环氧（EP）聚合物的电子特性、吸水性和热稳定性的影响。使用由一个纳米填料或几个钙离子和环氧交联大分子组成的分子混合物模型模拟纳米填料/基质界面或离子渗入基质的局部区域，通过第一原理方法计算其电子态密度，以确定纳米填料是否以及如何在环氧基质中引入电荷陷阱。纳米填料表面的钙阳离子从与硅氧四面体的配位中解离出来，渗入 EP 基质的空隙中，在填料/基质界面处留下了比基质中更大的自由体积。溶解在 EP 基质中的钙阳离子吸附在低静电位区域，或与 EP 基质中的羰基配位，从而在比胺交联 EP 聚合物最低导带低 >1eV 的能级上引入了一个小的深电子陷阱带。即使在室温下，热振动也能破坏硅酸钙纳米填料表面的钙阳离子与硅氧框架之间的配位键，使大量钙离子渗入 EP 基体的空隙中，从而全面提高硅酸钙/EP 纳米复合材料的内聚能、热稳定性和电荷捕获能力。
{"title":"Charge-Traps, Thermal Stability and Water-Uptakes of CaSiO3/EP and SiO2/EP Nanocomposites from Molecular Simulations and First-Principles Calculations","authors":"Yanyan Zhang, Weifeng Sun","doi":"10.1149/2162-8777/ad423a","DOIUrl":"https://doi.org/10.1149/2162-8777/ad423a","url":null,"abstract":"\u0000 Various analytical methods were employed to elucidate the effects of filling nano-calcium-silicate or nano-silica on the electronic property, water-uptake, and thermal stability of an amine-crosslinked epoxy (EP) polymer. Molecular-mixture models consisting of a nanofiller or several calcium ions and EP crosslinked macro-molecules were used to simulate local regions of nanofiller/matrix interface or ion-infiltrated matrix, calculating their density of electron-states by first-principles method to determine whether and how the nanofillers introduce charge traps into EP matrix. Calcium cations on nanofiller surface dissociate away from coordinating with silicon-oxygen tetrahedron and infiltrate into void spaces in EP matrix, leaving a larger free volume at filler/matrix interface than in matrix. Calcium cations dissolved in EP matrix adsorbed in the low electrostatic potential region or coordinate with carbonyl groups in EP matrix and thus introduce a miniband of deep electron traps at energy levels >1eV lower than conduction band minimum of the amine-crosslinked EP polymer. Even at room temperature, thermal vibrations can break coordinate bonds between calcium cations and silicon-oxygen framework on calcium-silicate nanofiller surface and make considerable calcium ions infiltrating void spaces within EP matrix, leading to comprehensive improvements of cohesive energy, thermal stability, and charge trapping ability in the calcium-silicate/EP nanocomposite.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140666412","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-04-19DOI: 10.1149/2162-8777/ad40cf
Akash Ramasamy, S. A, Hariharan Rajalakshmi Mohanraj, D. John Thiruvadigal
COPD is a respiratory disease with a high mortality rate worldwide. The major cause of death in COPD patients is due to late diagnosis. Early detection of COPD is crucial for significantly reducing the risk of death but is challenging to attain. A distinguished way to early diagnosis is by using the nanosensor for sensing the COPD breath biomarkers. For the first time, we report an armchair silicene nanoribbon (ASiNR) as a promising sensing material for the diagnosis of hexanal a COPD breath biomarker. In this present study, the density functional theory (DFT) with Grimme D2 corrected approach was incorporated to observe the ground state electronic properties and adsorption mechanism of hexanal on the pristine, defect induced (D) and B-, C-, and N-doped ASiNR systems. N-ASiNR systems show the highest adsorption energy value among previously reported works due to the presence of strong covalent interaction, and it does not show recovery at room temperature. The B-ASiNR system with higher charge transfer exhibits large work function change with the fastest recovery at room temperature in 1.81 s. Our results confirms B-doped ASiNR system acts as an efficient reusable work function-based sensor for the early diagnosis of COPD at room temperature.
慢性阻塞性肺病是全世界死亡率很高的呼吸系统疾病。慢性阻塞性肺病患者死亡的主要原因是诊断过晚。早期发现慢性阻塞性肺病对大幅降低死亡风险至关重要，但实现这一目标却很困难。利用纳米传感器感测慢性阻塞性肺病呼气生物标志物是早期诊断的一个重要方法。我们首次报道了一种臂向硅纳米带（ASiNR），它是一种很有前景的传感材料，可用于诊断 COPD 呼气生物标志物己醛。在本研究中，采用 Grimme D2 修正方法的密度泛函理论（DFT）观察了原始、缺陷诱导（D）和 B、C 及 N 掺杂 ASiNR 系统上正己醛的基态电子特性和吸附机理。由于存在强共价作用，N-ASiNR 系统的吸附能值在之前报道的作品中最高，而且在室温下不会出现恢复。我们的研究结果证实，掺 B 的 ASiNR 系统是一种可重复使用的基于功函数的高效传感器，可用于室温下慢性阻塞性肺病的早期诊断。
{"title":"DFT Calculations on Defect Induced and Doped ASiNR for Sensing the COPD Breath Biomarker","authors":"Akash Ramasamy, S. A, Hariharan Rajalakshmi Mohanraj, D. John Thiruvadigal","doi":"10.1149/2162-8777/ad40cf","DOIUrl":"https://doi.org/10.1149/2162-8777/ad40cf","url":null,"abstract":"\u0000 COPD is a respiratory disease with a high mortality rate worldwide. The major cause of death in COPD patients is due to late diagnosis. Early detection of COPD is crucial for significantly reducing the risk of death but is challenging to attain. A distinguished way to early diagnosis is by using the nanosensor for sensing the COPD breath biomarkers. For the first time, we report an armchair silicene nanoribbon (ASiNR) as a promising sensing material for the diagnosis of hexanal a COPD breath biomarker. In this present study, the density functional theory (DFT) with Grimme D2 corrected approach was incorporated to observe the ground state electronic properties and adsorption mechanism of hexanal on the pristine, defect induced (D) and B-, C-, and N-doped ASiNR systems. N-ASiNR systems show the highest adsorption energy value among previously reported works due to the presence of strong covalent interaction, and it does not show recovery at room temperature. The B-ASiNR system with higher charge transfer exhibits large work function change with the fastest recovery at room temperature in 1.81 s. Our results confirms B-doped ASiNR system acts as an efficient reusable work function-based sensor for the early diagnosis of COPD at room temperature.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140685587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-04-18DOI: 10.1149/2162-8777/ad4059
Xinran Bi, Weipeng Dai, Xiaocheng Lu, Zidong Zhang, Junhui Men
High-performance and cost-effective microwave absorbing materials are of vital importance in not only military but also civil fields. Here, an in-situ generation-carbonization one-step method is proposed to synthesize excellent absorbents based on a common solid waste, willow catkins. The results demonstrate that the microwave absorption performance has been successfully improved owing to the magnetic particles, the core-shell nanoparticles, and the hierarchical porous structure, which results in strong conductivity loss, dielectric loss, magnetic loss, interface polarization, and multiple scattering. The maximum reflection loss (RLmax) reaches up to -50.66 dB and -49.09 dB, respectively, at 16.6 and 17.1 GHz with the thickness of 1.65 mm, resulting in double-peak absorption. What’s more, the effective absorption bandwidth (EAB, RL<−10 dB) can get up to 5.7 GHz (from 12.4 to 18 GHz) with the thickness of 1.84 mm. Great absorption performance can be obtained simply through impregnation and carbonization, which constructs a fruitful and cost-effective paradigm for resource utilization of solid waste such as willow catkins.
高性能、低成本的微波吸收材料不仅在军事领域，在民用领域也至关重要。本文提出了一种基于常见固体废弃物柳絮的原位生成-碳化一步法合成优良吸波材料的方法。结果表明，由于磁性颗粒、核壳纳米颗粒和分层多孔结构的存在，微波吸收性能得到了成功改善，从而产生了较强的传导损耗、介电损耗、磁性损耗、界面极化和多重散射。在厚度为 1.65 mm 时，16.6 和 17.1 GHz 的最大反射损耗（RLmax）分别达到 -50.66 dB 和 -49.09 dB，从而产生双峰值吸收。此外，厚度为 1.84 mm 时，有效吸收带宽（EAB，RL<-10 dB）可达 5.7 GHz（从 12.4 到 18 GHz）。只需通过浸渍和碳化就能获得很好的吸收性能，这为柳树荑花序等固体废弃物的资源化利用构建了一个富有成效且经济高效的范例。
{"title":"Biomass-Derived Integrated Hierarchical Porous Carbon Embedded with Ni@C Nanoparticles for High-Performance and Cost-Effective Microwave Absorbent Design","authors":"Xinran Bi, Weipeng Dai, Xiaocheng Lu, Zidong Zhang, Junhui Men","doi":"10.1149/2162-8777/ad4059","DOIUrl":"https://doi.org/10.1149/2162-8777/ad4059","url":null,"abstract":"\u0000 High-performance and cost-effective microwave absorbing materials are of vital importance in not only military but also civil fields. Here, an in-situ generation-carbonization one-step method is proposed to synthesize excellent absorbents based on a common solid waste, willow catkins. The results demonstrate that the microwave absorption performance has been successfully improved owing to the magnetic particles, the core-shell nanoparticles, and the hierarchical porous structure, which results in strong conductivity loss, dielectric loss, magnetic loss, interface polarization, and multiple scattering. The maximum reflection loss (RLmax) reaches up to -50.66 dB and -49.09 dB, respectively, at 16.6 and 17.1 GHz with the thickness of 1.65 mm, resulting in double-peak absorption. What’s more, the effective absorption bandwidth (EAB, RL<−10 dB) can get up to 5.7 GHz (from 12.4 to 18 GHz) with the thickness of 1.84 mm. Great absorption performance can be obtained simply through impregnation and carbonization, which constructs a fruitful and cost-effective paradigm for resource utilization of solid waste such as willow catkins.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140690141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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