Materials Chemistry and Physics最新文献

{"title":"First-principles investigation of physical, mechanical, thermodynamics and transport properties of tetragonal double perovskite Sr2MnSbO6: A DFT+U+SOC study","authors":"Lakhdar Benahmedi,&nbsp;Anissa Besbes,&nbsp;Radouan Djelti","doi":"10.1016/j.matchemphys.2025.130520","DOIUrl":"10.1016/j.matchemphys.2025.130520","url":null,"abstract":"<div><div>In this study, we investigate the structural, electronic, elastic, and thermoelectric properties of the tetragonal Sr₂MnSbO₆ double perovskite using the full-potential linearized augmented plane wave (FP-LAPW) method within the WIEN2k code. The calculations were performed using the generalized gradient approximation (GGA-PBE), GGA-PBE + U, and the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential to correct the exchange-correlation functional. Spin-orbit coupling (SOC) was applied to account for relativistic effects. The results confirm the stability of the ferromagnetic (FM) state, as evidenced by energy optimization. Notably, the compound exhibits robust half-metallicity, characterized by a semiconductor nature in the spin-down channel and metallic behavior in the spin-up channel, which is a key feature for efficient spintronic applications such as spin filters and magnetic sensors. Thermodynamic stability is affirmed by the negative formation energy and the absence of imaginary modes in the phonon dispersion curve. Mechanical analysis indicates that Sr₂MnSbO₆ is mechanically stable, with significant anisotropy, mechanical strength, and ductility. Furthermore, the thermoelectric performance shows a high Seebeck coefficient and favorable power factor, underscoring its promising potential for high-efficiency energy conversion devices. These findings not only validate Sr₂MnSbO₆ as a stable material but also highlight its groundbreaking potential in next-generation spintronic and thermoelectric technologies.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130520"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387291","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}

{"title":"Fabrication of RGO-based aerogel decorated with Core-shelled Ag@Fe3O4 nanospheres for High-performance electromagnetic wave absorption","authors":"Yulin Niu ,&nbsp;Rui Xing","doi":"10.1016/j.matchemphys.2025.130531","DOIUrl":"10.1016/j.matchemphys.2025.130531","url":null,"abstract":"<div><div>The limitations of single dielectric-loss materials have driven extensive research into designing electromagnetic wave (EMW) absorbers that achieve a balance between dielectric and magnetic losses. In this study, a lightweight, porous Ag@Fe₃O₄ modulated Reduced graphene oxide (RGO) aerogel was synthesized via a simple hydrothermal method to address this challenge. It can be seen that the Ag@Fe₃O₄-RGO composite demonstrates superior EMW absorption compared to pure RGO, achieving a minimum reflection loss (RL) of −50.6 dB at 8.64 GHz with an effective absorption bandwidth (EAB) of 7.5 GHz. The enhanced absorption performance is attributed to synergistic effects between impedance matching, interfacial polarization, and optimized attenuation constants. These results indicate that Ag@Fe₃O₄-RGO aerogel is expected to be a candidate material for EMW absorption.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130531"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143394668","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}

{"title":"Construction and characterization of 5,6-O-Isopropylidene-L-Ascorbic acid-loaded silver and manganese dioxide nanoparticles: Cytotoxicity study, antibacterial, and antioxidant activities","authors":"Mouhaned Y. Al-darwesh ,&nbsp;Layth L. Hamid ,&nbsp;Sattar S. Ibrahim ,&nbsp;Mohammed A. Mohammed","doi":"10.1016/j.matchemphys.2025.130517","DOIUrl":"10.1016/j.matchemphys.2025.130517","url":null,"abstract":"<div><div>Nanomaterials are increasingly recognized for their potential in biomedical applications due to their unique properties. This study introduces a novel approach to synthesizing and characterizing multifunctional silver (Ag) and manganese dioxide (MnO₂) nanoparticles (NPs) coated with 5,6-O-Isopropylidene-<span>l</span>-Ascorbic Acid (IAA), a vitamin C derivative. The primary objective was to evaluate their potential for antibacterial, antioxidant, antibiofilm, and anticancer applications. The nanocomposites were synthesized using chemical methods and characterized using FTIR, ¹H NMR, Mass spectroscopy, UV–vis, XRD, SEM, and TEM. Results demonstrated enhanced antibacterial activity, with inhibition zones ranging from 30 to 40 mm for Ag NPs-IAA and 14–33 mm for MnO₂ NPs-IAA. The minimum inhibitory concentrations (MIC) were 4–32 μg/mL and 16–64 μg/mL for Ag NPs-IAA and MnO₂ NPs-IAA, respectively. Antibiofilm activity reached 89 % for Ag NPs-IAA and 82 % for MnO₂ NPs-IAA. Antioxidant activity, assessed via DPPH scavenging, showed significant enhancement upon IAA loading, achieving 86.31 % for Ag NPs-IAA and 81.35 % for MnO₂ NPs-IAA. Cytotoxicity studies against MCF-7 and PC-3 cell lines revealed that the nanocomposites inhibited cell proliferation and induced apoptosis. These findings highlight the significant potential of IAA-encapsulated Ag NPs and MnO₂ NPs in antibacterial, antibiofilm, antioxidant, and anticancer therapies, paving the way for advanced therapeutic nanomaterials.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130517"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418829","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}

{"title":"One-step synthesis of micron-sized silica particles by continuous dropwise addition: The effect of reaction parameters on particle size","authors":"ZhiCheng Zhao ,&nbsp;ZhuoQun Han ,&nbsp;XiaoLi Zhang ,&nbsp;Walther Glaubitt ,&nbsp;Jia Liu ,&nbsp;QingXuan Zhou ,&nbsp;Jian Li ,&nbsp;Ying Xu ,&nbsp;WeiRu Zhang ,&nbsp;Yang Wang ,&nbsp;Ling Li ,&nbsp;FuTian Liu","doi":"10.1016/j.matchemphys.2025.130525","DOIUrl":"10.1016/j.matchemphys.2025.130525","url":null,"abstract":"<div><div>In the modern electronic field, micron silicon dioxide has unique advantages in electronic packaging due to its low specific surface area, low light scattering, high stability, and low interface reactions. The conventional Stöber and Seed methods are limited by submicron sizes and secondary particles, respectively, hindering the production of micron-sized silica particles in a single step. The continuous drop addition method (CAM) overcomes this limitation by changing the growth state of the particles. In this paper, monodisperse and narrowly distributed silica particles with particle sizes ranging from 0.6 μm to 0.132 μm were obtained by the continuous drop addition method. The roles of tetraethyl orthosilicate (TEOS) addition rate, TEOS concentration and ammonia solution (NH₃·H₂O) volume on the final particle size of silica particles were discussed.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130525"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143394669","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}

{"title":"Bio-based poly(hydroxyurethane)s of good thermal/mechanical properties upon insertion of polyamide segments","authors":"Yao Qin,&nbsp;Yanyan Wang,&nbsp;Yuanmeng Wang,&nbsp;Jingbo Zhao,&nbsp;Jue Cheng,&nbsp;Junying Zhang","doi":"10.1016/j.matchemphys.2025.130522","DOIUrl":"10.1016/j.matchemphys.2025.130522","url":null,"abstract":"<div><div>Polyaddition of cyclic carbonates (CCs) and di- or polyamines to prepare polyhydroxyurethanes (PHUs) has been regarded as the most promising method to prepare non-isocyanate polyurethanes (NIPUs), granted it incorporates bio-based raw materials and achieves 100 % atom economy. However, low molar mass of bio-based linear PHUs leads to poor mechanical properties and heat resistance, greatly limiting their large-scale production and application as a substitute for conventional polyurethanes. In this study, a di(cyclic carbonate) with hexanediamide segments (HDADCC) was synthesized through a green transesterification of the di(1,2-diols) with dimethyl carbonate under mild reaction conditions. Furthermore, a series of bio-based diamino-terminated oligoamides (DAPADs) were prepared from bio-based dimer acid and decanediamine, effectively increasing the molecular weight of PHUs. Thermoplastic polyhydroxy(amide-urethane)s (PHAUs) were synthesized from the polyaddition of HDADCC with DAPADs. Notable polar difference between diamide segments and bulky alkyl groups resulted in nano-scale microphase separation and highly hydrophobic surfaces for PHAUs. The symmetrical diamide segments enhance the intermolecular forces of materials, while the flexible segments of DAPAD impart excellent toughness. As a result, the newly prepared PHAUs show excellent and tunable thermal and mechanical properties with the tensile strength and elongation at break reaching 19.4 MPa and 560.1 %, and a melting point of up to 100.7 °C. Essentially, this simple and efficient preparation method not only achieves green preparation of polyurethanes but also ensures good mechanical properties and heat resistance, providing a new perspective on the combination of excellent performance and environmental friendliness of polyurethane materials.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130522"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418832","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}

{"title":"Microstructural influence on corrosion behavior and the TiO2 nanostructured layer growth in the Ti–10Mo–3Sn alloy","authors":"G.D. Bueno ,&nbsp;I.V. Alves ,&nbsp;M.G. Mello ,&nbsp;L.S. Silva ,&nbsp;R. Caram ,&nbsp;A. Cremasco","doi":"10.1016/j.matchemphys.2025.130529","DOIUrl":"10.1016/j.matchemphys.2025.130529","url":null,"abstract":"<div><div>β-metastable titanium alloys have received special attention in prosthesis manufacturing due to their good mechanical behavior and superior biocompatibility. Nonetheless, the addition of self-organized titanium (IV) oxide (TiO₂) on the component surface has been needed to improve its bioactivity and osseointegration. In this investigation, the effect of the substrate microstructure on corrosion behavior and TiO₂ nanotube formation was studied in the β-metastable Ti–10Mo–3Sn (% wt.) alloy. Self-organized TiO₂ was prepared by anodization of Ti–10Mo–3Sn (% wt.) alloy after solution heat treatment at 1000 °C and aging treatments at 500 °C and 600 °C. Changes in surface nanotopography were verified as a function of the substrate microstructure and the electrolyte composition. The presence of finer precipitation leads to a thicker layer of TiO₂ nanotubes and an increase in their diameters was observed at higher aging temperatures.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130529"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418838","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}

{"title":"3D display of EPR data for a deeper investigation of bulk manganese compounds","authors":"Sebastien De Windt ,&nbsp;Jérémie Auvergniot ,&nbsp;Pierre-Etienne Cabelguen ,&nbsp;Fabienne Gschwind ,&nbsp;Katia Guérin ,&nbsp;Marc Dubois","doi":"10.1016/j.matchemphys.2025.130527","DOIUrl":"10.1016/j.matchemphys.2025.130527","url":null,"abstract":"<div><div>Numerous families of battery technologies have been developed in the scope of electrochemical energy storage, many of which include cathode active materials based on manganese. These materials or their precursors are strongly paramagnetic and often partially amorphous, which impedes the characterization of their bulk by means of XRD and NMR. Rightfully, electron paramagnetic resonance (EPR) stood for us as great ally when it came to lab's scale analysis as part of our work on the synthesis of bulk (lithium) manganese (oxy)fluorides. In this article, we share on our experience and methods regarding the practical application of EPR to materials chemistry. Accordingly, we provide a 3D display of EPR data to co-represent EPR key parameters {g-factor, ΔH_pp and absorption signal area}. Within the frame of bulk (lithium) manganese (oxy)fluorides, we found out that coupled analysis of these parameters empirically enables qualitative chemistry identification and quantitative titration of the identified phases provided pure references. We define the boundaries of validity of this display procedure both through theory description and extensive experimental control experiments. In addition, we provide a well-stocked database of EPR spectra and data for bulk (lithium) manganese oxides, fluorides and oxyfluorides including among others MnO, Mn₃O₄, Mn₂O₃, MnO₂, MnOOH, MnF₂, Mn₂F₅, MnF₃, MnF₄, MnOF, Li₂MnO₃ and Li₂MnF₆. We also provide practical application cases of the 3D display. By elaborating on the potency and limits of this method when applied to practical cases, we wish to extend the scope of EPR within the community of bulk materials chemistry.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130527"},"PeriodicalIF":4.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419356","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}

{"title":"A combined experimental and computational studies on thiophene adsorption from liquid fuels over ZIF-67@ZnFe LDH composites","authors":"Esraa A. Mansour ,&nbsp;Mohamed Taha ,&nbsp;Rehab K. Mahmoud ,&nbsp;Nabila Shehata ,&nbsp;Reda M. Abdelhameed","doi":"10.1016/j.matchemphys.2025.130499","DOIUrl":"10.1016/j.matchemphys.2025.130499","url":null,"abstract":"<div><div>Nowadays, sulfur compounds (e.g., thiophene) in liquid fuels are increasingly recognized as a major source of air pollution, making fuel purification a top priority. A new composite composed of metal-organic framework (ZIF-67) and ZnFe(4:1)-layer double hydroxide (ZnFe LDH) materials was synthesized at room temperature with varying weight ratios of ZIF-67 (20, 40, and 60 <em>wt</em> %) for the removal of thiophene from a model fuel (<em>n</em>-heptane). The characterization techniques (XRD, SEM, TEM, FTIR, and BET) confirmed the successful synthesis of the composite materials. The adsorptive desulfurization performance of the ZIF-67@ZnFe LDH composites was compared with ZIF-67 and ZnFe-LDH via adsorption batch processes. The experimental adsorption data were tested using isotherm and kinetic models to know the adsorption process. The composite material (40 % ZIF-67@LDH) appeared a significantly greater adsorption capacity (395.4 mg/g), exceeding that of the two parent materials (ZnFe-LDH and ZIF-67) by (2.5 and 1.6 times), respectively. Monte Carlo simulation was employed to identify the most favorable adsorption sites for thiophene on ZIF-67 and Zn–Fe LDH. Our results suggest that the combination of ZIF-67 and ZnFe LDH in the composite material has a synergistic effect, leading to a remarkable enhancement in adsorption performance. The ZIF-67, with its large pore volume and high surface area, provides a high capacity for thiophene adsorption. While the LDH offers abundant and more favorable interaction sites with higher adsorption energy for thiophene. The 40 % ZIF-67@LDH composite exhibited promising reusability, maintaining its effectiveness for at least four consecutive adsorption-desorption cycles. This suggests its potential as a low cost, efficient and sustainable solution for thiophene removal.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130499"},"PeriodicalIF":4.3,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143372411","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}

{"title":"Structural-phase transformations and evolution of defect structure under thermal influence and hydrogenation of Cr-coated E110 zirconium alloy: Experimental research and first-principal calculations","authors":"Viktor N. Kudiiarov,&nbsp;Mark A. Kruglyakov,&nbsp;Anton D. Lomygin,&nbsp;Roman S. Laptev,&nbsp;Andrei V. Tereshchenko,&nbsp;Ivan A. Ushakov,&nbsp;Leonid A. Svyatkin,&nbsp;Dmitrii B. Vrublevskii","doi":"10.1016/j.matchemphys.2025.130494","DOIUrl":"10.1016/j.matchemphys.2025.130494","url":null,"abstract":"<div><div>This work is aimed at studying the peculiarities of structural-phase transformations and defect structure evolution in samples of Zr1%Nb zirconium alloy with and without chromium coating. As a result of ex situ and <em>in situ</em> study of thermal and hydrogen impact processes, it was found that chromium coating on zirconium alloy Zr1%Nb contributes to the reduction of hydrogen absorption rate, which is 1.8 less compared to the material without protective coating. It is established that in the process of hydrogenation of zirconium alloy with chromium coating hydrogen diffuses into the volume of the material and is evenly distributed through the thickness of the sample which indicates the excellent protective qualities of this coating. A gradient of hydrogen distribution is observed in the volume of material without chromium coating after hydrogenation. It has been shown that the increase in hydrogen resistance of zirconium alloy with chromium coatings is in additional due to the presence of an incoherent interface and defects in its vicinity. Positron spectroscopy has shown that, in the case of chromium-coated zirconium materials after thermal treatment and hydrogenation, hydrogen is mainly localized at the Zr/Cr interface. Ex situ methods have determined that thermal and hydrogen impact results in the accumulation of dislocation-type defects in zirconium alloy due to the formation of hydrides.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"335 ","pages":"Article 130494"},"PeriodicalIF":4.3,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143418839","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}

{"title":"Optimizing low-k SiCOH films deposited by PECVD with a novel C6H16OSi precursor: Impact of oxygen/carbon ratio on film properties","authors":"Sangwoo Lee ,&nbsp;Jaejin Hwang ,&nbsp;Joonbong Lee ,&nbsp;Hyunbin Chung ,&nbsp;Dae Haa Ryu ,&nbsp;Heeseo Yun ,&nbsp;In Gyu Choi ,&nbsp;Hyojun Jung ,&nbsp;Kwanwoo Lee ,&nbsp;Sanghak Yeo ,&nbsp;Sungwoo Lee ,&nbsp;Jaeyoung Yang ,&nbsp;Ho Jung Jeon ,&nbsp;You Seung Rim ,&nbsp;Jaekwang Lee ,&nbsp;Taekjib Choi","doi":"10.1016/j.matchemphys.2025.130510","DOIUrl":"10.1016/j.matchemphys.2025.130510","url":null,"abstract":"<div><div>The advancement of ultra-large-scale integration (ULSI) technology has significantly improved semiconductor performance through the miniaturization of chip feature sizes. However, this scaling has led to increased resistance-capacitance (RC) delays in back end of line (BEOL) processes. To mitigate these issues, the semiconductor industry has transitioned from silicon dioxide (SiO₂) to low-k dielectric materials such as organosilicate glass (SiCOH). This study investigates the deposition of SiCOH films using plasma-enhanced chemical vapor deposition (PECVD) with a novel precursor, C₆H₁₆OSi, focusing on the impact of the oxygen/carbon (O/C) ratio on film properties. Fourier-transform infrared (FT-IR) spectroscopy confirms the presence of various hydrocarbon and organosilicon bonds including C–H_x (3100–2800 cm⁻¹), Si–CH₃ (1260 cm⁻¹), and Si(CH₃)_x (775, 805, 845 cm⁻¹) as well as the Si–O–Si asymmetric stretching band at 1250–950 cm⁻¹. Systematic deconvolution of these peaks reveals how increasing O/C shifts the balance between siloxane suboxide, network, and cage structures, alongside changes in Si–(CH₃)_x and C–H_x contributions. X-ray photoelectron spectroscopy (XPS) analysis corroborates these trends, showing that increased O₂ flow enhances the deposition rate and lowers the refractive index. Mechanical tests further indicate that hardness and elastic modulus follow similar tendencies. Computational simulations further demonstrate that higher carbon content leads to the formation of CH₃ bonds, which increase free volume, reduce density, and lower the dielectric constant. These findings highlight the potential of this novel precursor to produce SiCOH films with enhanced electrical, mechanical, and thermal properties for next-generation BEOL applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"334 ","pages":"Article 130510"},"PeriodicalIF":4.3,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377014","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}