Diamond and Related Materials最新文献

Surface modification of hard diamond particles with Cu-Mo2C double layer coating and its application in thermal conductive composites Cu-Mo2C双层涂层对硬质金刚石颗粒的表面改性及其在导热复合材料中的应用

IF 5.1 3区材料科学

Diamond and Related Materials Pub Date : 2025-10-15 DOI: 10.1016/j.diamond.2025.112950

Yanpeng Pan , Pengya Lei , Xinbo He , Hua Hou , Yuhong Zhao

{"title":"Surface modification of hard diamond particles with Cu-Mo2C double layer coating and its application in thermal conductive composites","authors":"Yanpeng Pan , Pengya Lei , Xinbo He , Hua Hou , Yuhong Zhao","doi":"10.1016/j.diamond.2025.112950","DOIUrl":"10.1016/j.diamond.2025.112950","url":null,"abstract":"<div><div>Thermal conductive composites were fabricated with a unique method using Cu-Mo<sub>2</sub>C double layer coated diamond particles. Molybdenum carbide coating was prepared by the molten salt method to promote interfacial bonding in the composites. The reacting substance of MoO<sub>3</sub> and diamond surface was analyzed and the reacting process was clarified. With electroless plating, copper layer was deposited as the outer layer. The powder size distribution and pressing property of the synthetic particles were further analyzed, which confirmed that the copper layer was formable and thick enough to replace copper powders for the composite matrix. The Cu-Mo<sub>2</sub>C coated diamond particles were compacted by cold pressing and then sintered under vacuum. Thermal conductivity of 65 vol% diamond/Cu composite produced in this way reached 622 Wm<sup>−1</sup> K<sup>−1</sup> which was much higher than that of the composite using uncoated diamond. The coefficient of thermal expansion of 70 vol% diamond/Cu composite reached as low as 5.40 × 10<sup>−6</sup>/K which was more compatible with those of semiconductor materials. The significantly improved thermal physical properties can be ascribed to the perfect adhesion of Mo<sub>2</sub>C layer at the interface and the uniform distribution of diamond particles because of the coating copper layer. In addition, the nailing effect and grain refining mechanism of diamond particles during copper sintering were studied based on the phase field method. The results show that diamond can effectively inhibit the grain growth and promote the grain refining of copper matrix, which is a unique sintering phenomenon for double layer coated diamond powders.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"160 ","pages":"Article 112950"},"PeriodicalIF":5.1,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323546","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

Effects of diamond size and content in Ni/Al/diamond composite powders on in-flight NiAl particle oxidation behavior and microstructure of the coatings by atmospheric plasma spraying Ni/Al/金刚石复合粉末中金刚石的尺寸和含量对大气等离子喷涂涂层飞行中NiAl颗粒氧化行为和显微组织的影响

IF 5.1 3区材料科学

Diamond and Related Materials Pub Date : 2025-10-14 DOI: 10.1016/j.diamond.2025.112949

Li Zhang, Rui Chen, Xian-Jin Liao, Xiao-Tao Luo, Chang-Jiu Li

{"title":"Effects of diamond size and content in Ni/Al/diamond composite powders on in-flight NiAl particle oxidation behavior and microstructure of the coatings by atmospheric plasma spraying","authors":"Li Zhang, Rui Chen, Xian-Jin Liao, Xiao-Tao Luo, Chang-Jiu Li","doi":"10.1016/j.diamond.2025.112949","DOIUrl":"10.1016/j.diamond.2025.112949","url":null,"abstract":"<div><div>Plasma-sprayed NiAl coatings exhibit excessive oxide inclusions, which significantly limits the coatings performance and applications. This study aims at clarifying the factors influencing in-flight deoxidizing kinetics of NiAlC particles using diamond as deoxidizer to promote the development of novel APS approach for metal coating using oxide-free molten droplets in ambient atmosphere. The influence of diamond particle size and content on the in-situ in-flight deoxidizing effect during atmospheric plasma spraying of NiAlC particles and microstructure of APS NiAl coatings are systematically investigated. Results demonstrate that the NiAl coatings prepared with Ni/Al/diamond powders present a much denser structure with significantly improved adhesive strength in comparison with conventional NiAl coating. When 1–2 μm diamond is used as a deoxidizer, the incomplete dissolution of larger diamond particles into molten NiAl limits the continuous supply of carbon to droplets surface. Therefore, the oxygen content of the coatings increases and bonding strength decreases with increasing carbon content. When 100 nm diamond is used as a deoxidizer, its dissolution into molten NiAl is promoted. The carbon within in-flight Ni<img>Al particles can be continuously supplied to surface by vortex motion to achieve in-situ in-flight deoxidation as carbon content is increased from 2 wt% to 4 wt%. The oxygen content of NiAlC coatings is significantly decreased to 0.65 wt% with increasing nano-sized diamond to 4 wt% compared with the oxygen content 3.32 wt% of NiAl coating deposited by Ni/Al powder.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112949"},"PeriodicalIF":5.1,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145332472","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

Comparative dielectric analysis of Schottky diodes from the perspective of the high-dielectric interlayers (pure, N, S, Cu doped DLC) and light exposure 从高介电层（纯、N、S、Cu掺杂DLC）和光曝光的角度对肖特基二极管的介电特性进行比较分析

IF 5.1 3区材料科学

Diamond and Related Materials Pub Date : 2025-10-14 DOI: 10.1016/j.diamond.2025.112951

Lina Melek Balıkçı , Esra Erbilen Tanrıkulu , Kayra Karatay , Şemsettin Altındal

{"title":"Comparative dielectric analysis of Schottky diodes from the perspective of the high-dielectric interlayers (pure, N, S, Cu doped DLC) and light exposure","authors":"Lina Melek Balıkçı , Esra Erbilen Tanrıkulu , Kayra Karatay , Şemsettin Altındal","doi":"10.1016/j.diamond.2025.112951","DOIUrl":"10.1016/j.diamond.2025.112951","url":null,"abstract":"<div><div>This study primarily aims to elucidate the impact of different interlayers employed in Schottky diodes (SDs) on their dielectric properties. A further aim of this study is to reveal the variation in the relevant dielectric properties with illumination. To this end, four SDs incorporating DLC, N-DLC, S-DLC, and Cu-DLC interlayers were produced via the electrochemical deposition method, and their impedance measurements were performed at ambient temperature and 1 MHz frequency value. Afterwards, the measurements were repeated under an illumination intensity of 100 mW/cm<sup>2</sup>. The computed <span><math><msup><mi>ε</mi><mo>′</mo></msup></math></span>, <span><math><msup><mi>ε</mi><mo>″</mo></msup></math></span> and tanδ values exhibit interlayer-dependent variations in both the depletion and accumulation regions. In the M* analysis, the M′–V plots show a gradual decrease, with a sharp decline in the depletion region, while the M″–V plots display a distinct peak in the same voltage range, corresponding to the relaxation process. On the other hand, the M″–M′ plots confirm a single relaxation process, with the arc radius varying depending on the interlayer type. Additionally, the SD with S-DLC interlayer exhibits the highest <span><math><msub><mi>σ</mi><mi>ac</mi></msub></math></span> conductivity, while phase angle values represent the capacitive traits of all the interlayers. Dielectric data indicate that illumination becomes effective in both depletion and accumulation regions. Notably, SDs incorporating DLC and Cu-DLC interlayers exhibit the highest illumination sensitivity. Overall, the noticeably high <span><math><msup><mi>ε</mi><mo>′</mo></msup></math></span> values of all SDs, compared to the conventional SiO<sub>2</sub>, indicate an enhanced capacity for charge and energy storage, emphasizing the originality and potential of employing DLC, whether doped or undoped, as an interlayer in SDs.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"160 ","pages":"Article 112951"},"PeriodicalIF":5.1,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323552","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

β-Cyclodextrin-encapsulated and Ketjenblack carbon-embedded helical multi-walled carbon nanotubes networks: A synergistic signal amplification strategy for electrochemical sensing analysis of gallic acid β-环糊精封装和Ketjenblack碳嵌入的螺旋多壁碳纳米管网络：一种用于没食子酸电化学传感分析的协同信号放大策略

IF 5.1 3区材料科学

Diamond and Related Materials Pub Date : 2025-10-14 DOI: 10.1016/j.diamond.2025.112952

Hongyuan Zhao , Mengyuan Zhao , Xinya Xu , Yuyang Zhang , Zirong Li , Sridhar Komarneni

{"title":"β-Cyclodextrin-encapsulated and Ketjenblack carbon-embedded helical multi-walled carbon nanotubes networks: A synergistic signal amplification strategy for electrochemical sensing analysis of gallic acid","authors":"Hongyuan Zhao , Mengyuan Zhao , Xinya Xu , Yuyang Zhang , Zirong Li , Sridhar Komarneni","doi":"10.1016/j.diamond.2025.112952","DOIUrl":"10.1016/j.diamond.2025.112952","url":null,"abstract":"<div><div>In this work, an ultrasensitive gallic acid (GA) electrochemical sensor was developed by using β-cyclodextrin-encapsulated and Ketjenblack carbon-embedded helical multi-walled carbon nanotubes (β-CD/HMCT/KC) networks, which were prepared by using ultrasound assisted one-pot strategy. β-CD not only achieved the good adsorption and enrichment‌ of GA‌ through ‌host-guest inclusion interactions but also promoted the ‌uniform dispersion‌ of HMCT and KC. HMCT facilitated the rapid electron transport through continuous tube-wall bending pathways, and the unique helical morphology further increased the surface corrugation, significantly enhancing the density of active sites. KC with ‌branched-chain morphology enabled the formation of branched-chain-like conductive carbon networks‌. The electrochemical performance of β-CD/HMCT/KC modified sensor was performed by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and differential pulse voltammetry (DPV). The ‌multifunctional integration‌ of β-CD/HMCT/KC enhanced the sensitivity of GA electrochemical analysis (Limit of detection: 8.8 nM, limit of quantification: 29.33 nM, linear concentration range: 0.5–20 μM). The practical evaluation of GA detection in food samples (teas and fruit juices) showed good recoveries of 96.03–104.37 % and low relative standard deviations of 2.30 %–4.57 %.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"160 ","pages":"Article 112952"},"PeriodicalIF":5.1,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323550","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

Functional modulation of NO capture, detection, and storage in metal-embedded γ-graphyne systems by first-principles calculation 基于第一性原理计算的金属嵌入γ-石墨炔系统中NO捕获、检测和存储的功能调制

IF 5.1 3区材料科学

Diamond and Related Materials Pub Date : 2025-10-13 DOI: 10.1016/j.diamond.2025.112946

Jing Li, Jiyao Fu, Dongchao Qiu

{"title":"Functional modulation of NO capture, detection, and storage in metal-embedded γ-graphyne systems by first-principles calculation","authors":"Jing Li, Jiyao Fu, Dongchao Qiu","doi":"10.1016/j.diamond.2025.112946","DOIUrl":"10.1016/j.diamond.2025.112946","url":null,"abstract":"<div><div>The capture, detection, and storage of nitric oxide (NO) are essential. This study utilizes first-principles calculations to explore how transition metals (M = Fe, Ru, Cr, V, Co, Pd, Pt) embedded in γ-graphyne (GY) influence NO adsorption, desorption, and signaling. Results demonstrate that embedding M atoms in GY forms polarized active sites, significantly enhancing NO adsorption. Charge transfer and <em>d</em>-<em>p</em> orbital hybridization reduce electronic band gaps; NO adsorption decreases magnetic moments in Fe/GY, Cr/GY, and V/GY, fully quenches those in Co/GY and Ru/GY, and induces new moments in Pd/GY via orbital hybridization. Metal modification enhances the optical response, improving dielectric function and absorption/reflectivity in the infrared-visible-near-ultraviolet region. These findings provide a basis for detecting NO adsorption through electrical, magnetic, and optical signals. Desorption dynamics indicate that Pd/GY and Pt/GY enable rapid NO release at lower temperatures, Co/GY, Fe/GY, and Cr/GY allow controlled NO desorption via thermal activation. In comparison, V/GY and Ru/GY maintain stable NO adsorption at higher temperatures, making them suitable for NO release in dynamic environments, cyclic capture-release, and storage under extreme conditions, respectively.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"160 ","pages":"Article 112946"},"PeriodicalIF":5.1,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323613","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

Possible exchange-bias in Fe-filled multiwall carbon nanotubes in presence of coexisting α-Fe and Fe3C phases α-Fe和Fe3C相共存时，铁填充多壁碳纳米管中可能存在的交换偏置

IF 5.1 3区材料科学

Diamond and Related Materials Pub Date : 2025-10-13 DOI: 10.1016/j.diamond.2025.112948

Filippo S. Boi , Zihui Qiu , Akhil Garg , Jianfang Wu

{"title":"Possible exchange-bias in Fe-filled multiwall carbon nanotubes in presence of coexisting α-Fe and Fe3C phases","authors":"Filippo S. Boi , Zihui Qiu , Akhil Garg , Jianfang Wu","doi":"10.1016/j.diamond.2025.112948","DOIUrl":"10.1016/j.diamond.2025.112948","url":null,"abstract":"<div><div>Ferromagnetic Fe<sub>3</sub>C and α-Fe nanowires are low dimensional nanoscale systems with tuneable saturation magnetization and coercivities. These materials have been frequently identified as technological targets for applications in spintronics, spin-wave transport and exchange-bias when confined inside carbon nanotubes (CNTs). Here we investigate the presence of exchange-bias in films of Fe-filled CNTs fabricated by pyrolysis of ferrocene/dichlorobenzene mixtures. By employing a combination of characterization techniques, namely X-ray diffraction (XRD), transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) we identify the presence of three main Fe-phases, namely Fe<sub>3</sub>C, α-Fe and γ-Fe. Control of the nanowire phase-composition was obtained by employing a custom designed cooling approach consisting on the combination of slow and rapid cooling methods. By tuning the duration of the slow-cooling method in the range from 0 to 40 min, we were able to reproducibly control the structural relaxation of Fe<sub>3</sub>C into α-Fe and γ-Fe. Magnetization vs Field signals acquired at T ~ 2 K revealed a shift of ~105 Oe in the position of the ferromagnetic hysteresis (under field cooling) acquired from those CNTs exhibiting coexisting α-Fe and Fe<sub>3</sub>C ferromagnetic phases. The hysteresis-shift was found to deplete and almost-vanish (~31 Oe) when converting the Fe<sub>3</sub>C phase into α-Fe and γ-Fe. Further characterization by atomic and magnetic force microscopy (AFM/MFM) revealed two main categories of contrast, namely one deriving from spontaneous magnetization with a direction perpendicular to the long axis of the CNT and another indicative of spontaneous magnetization along the nanowire-axis direction. Coexisting single and alternate types of contrast were interestingly identified and can be interpreted as the result of magnetic contributions arising from coexisting Fe<sub>3</sub>C and α-Fe phases.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"160 ","pages":"Article 112948"},"PeriodicalIF":5.1,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323553","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

Metal-free poly(o-toluidine)/g-C3N4 nanocomposite for efficient electrochemical sensing of 4-nitrophenol 无金属聚（邻甲苯胺）/g-C3N4纳米复合材料对4-硝基苯酚的高效电化学传感

IF 5.1 3区材料科学

Diamond and Related Materials Pub Date : 2025-10-12 DOI: 10.1016/j.diamond.2025.112947

Dhanavel Saminathan , Thangavelu Dhanasekaran , Stephen Arumainathan , Kibum Kim , Jonisha Jose SathiaRuby

{"title":"Metal-free poly(o-toluidine)/g-C3N4 nanocomposite for efficient electrochemical sensing of 4-nitrophenol","authors":"Dhanavel Saminathan , Thangavelu Dhanasekaran , Stephen Arumainathan , Kibum Kim , Jonisha Jose SathiaRuby","doi":"10.1016/j.diamond.2025.112947","DOIUrl":"10.1016/j.diamond.2025.112947","url":null,"abstract":"<div><div>Developing highly sensitive electrodes remains a challenge for contemporary environmental monitoring systems. This study addresses this limitation by fabricating electrochemical sensors based on a novel conducting polymer nanocomposites. The poly(o-toluidine) (POT)/g-C<sub>3</sub>N<sub>4</sub> nanocomposite was synthesized via in situ chemical oxidative polymerization using ammonium peroxydisulfate as the oxidant and camphor sulfonic acid (CSA) as the dopant. Comprehensive characterization, including FTIR, FESEM, and HRTEM analyses, confirmed the interaction between POT and g-C₃N₄ and revealed a ring-like morphology with a thin CSA-doped polymer layer. Differential pulse voltammetry (DPV) with a modified glassy carbon electrode modified by the CSA-doped POT/g-C<sub>3</sub>N<sub>4</sub> nanocomposite was used to detect 4-nitrophenol. Under optimized conditions, the sensor exhibited a linear detection range of 0.0025–0.140 μM, a sensitivity of 15.32 μA μM<sup>−1</sup> cm<sup>−2</sup>, And a detection limit (LOD) of 0.00769 μM or 7.69 nM. The modified electrode showed satisfactory recovery rates and robust stability in real sample analyses, demonstrating its potential for practical environmental pollutant detection.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112947"},"PeriodicalIF":5.1,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145332470","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

Effect of graphene oxides on the mechanical, thermal, and structural properties of epoxy nanocomposites 氧化石墨烯对环氧纳米复合材料力学、热学和结构性能的影响

IF 5.1 3区材料科学

Diamond and Related Materials Pub Date : 2025-10-12 DOI: 10.1016/j.diamond.2025.112937

Djihed Rezzig , Saad Abdeslam , Wolfgang Verestek , Johannes Roth , Siegfried Schmauder , Mostapha Tarfaoui

{"title":"Effect of graphene oxides on the mechanical, thermal, and structural properties of epoxy nanocomposites","authors":"Djihed Rezzig , Saad Abdeslam , Wolfgang Verestek , Johannes Roth , Siegfried Schmauder , Mostapha Tarfaoui","doi":"10.1016/j.diamond.2025.112937","DOIUrl":"10.1016/j.diamond.2025.112937","url":null,"abstract":"<div><div>This research reports the fabrication of epoxy nanocomposites reinforced with graphene oxide (GO) synthesized via an electrochemical exfoliation method. Epoxy/GO nanocomposites containing 0.5, 1, 2.5, 5, and 10 wt% GO were prepared using a three-roll mill instrument, and their structural, thermal, and local mechanical properties were systematically investigated. Comprehensive characterization included scanning electron microscopy, thermogravimetric analysis, differential scanning calorimetry, indentation testing, and cyclic indentation testing. The results show that at 2.5 wt% GO, the elastic modulus and hardness increased by approximately 7.4 % and 18 %, respectively, compared to neat epoxy. The glass transition temperature also increased by 24–28 %, depending on GO content. TGA analysis revealed that the residual weight at 800 °C increased from 17.13 wt% for neat epoxy to 26.50 wt% at 10 wt% GO, indicating a ∼ 55 % improvement in char yield and enhanced thermal stability due to the barrier effect of electrochemically exfoliated GO. Cyclic indentation testing further confirmed that 2.5 wt% GO provides optimal performance, offering improved elastic modulus, hardness, and resistance to cyclic loading. These findings highlight the potential of electrochemically exfoliated GO/epoxy nanocomposites for applications in aerospace, automotive, and advanced electronic devices.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112937"},"PeriodicalIF":5.1,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145332589","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

Structural, electronic, dynamical, and optical properties of inorganic and hybrid azugraphene-like structures 无机和杂化类氮化石墨烯结构的结构、电子、动力学和光学性质

IF 5.1 3区材料科学

Diamond and Related Materials Pub Date : 2025-10-11 DOI: 10.1016/j.diamond.2025.112882

Mizraim Bessa , Leonardo D. Machado , Sérgio Azevedo

{"title":"Structural, electronic, dynamical, and optical properties of inorganic and hybrid azugraphene-like structures","authors":"Mizraim Bessa , Leonardo D. Machado , Sérgio Azevedo","doi":"10.1016/j.diamond.2025.112882","DOIUrl":"10.1016/j.diamond.2025.112882","url":null,"abstract":"<div><div>We investigate the structural, electronic, dynamical, and optical properties of four azugraphene-like monolayers, comprising two purely inorganic structures and two hybrid boron carbon nitride (BCN) systems. First-principles calculations were performed to obtain structural and dynamical properties, as well as to investigate the electronic and optical behavior of the structures. Formation energy results reveal that these novel materials have low energy under favorable conditions. Molecular dynamics simulations at an average temperature of 300 K indicates that the proposed structures can withstand thermal fluctuations, highlighting their potential stability under ambient conditions. Phonon calculations further show that one of the structures exhibited negative frequency modes along the entire k-path, being therefore unstable. The materials are also estimated to have high carrier mobilities, ranging from <span><math><mrow><mo>∼</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>2</mn></mrow></msup></mrow></math></span> to <span><math><mrow><mo>∼</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>4</mn></mrow></msup></mrow></math></span> cm<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span>/V s in the stable cases. Our optical results show that inorganic structures have no significant optical activity in the infrared and visible regions of the spectrum, while for hybrid structures, the activity starts in the visible range. Furthermore, all structures exhibited reflectance below 7% across the investigated energy range.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112882"},"PeriodicalIF":5.1,"publicationDate":"2025-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145332469","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

Facile preparation of porous g-C₃N₄-based CuO@Ag nanocomposite for photocatalytic degradation of methylene blue dye and hydrogen evolution under visible light 多孔g-C₃N₄基CuO@Ag纳米复合材料的制备及其在可见光下光催化降解亚甲基蓝染料和析氢

IF 5.1 3区材料科学

Diamond and Related Materials Pub Date : 2025-10-10 DOI: 10.1016/j.diamond.2025.112943

Pravakar Mallick, Sradhanjali Raut, Shraban Kumar Sahoo, Santosh Kumar Satpathy

{"title":"Facile preparation of porous g-C₃N₄-based CuO@Ag nanocomposite for photocatalytic degradation of methylene blue dye and hydrogen evolution under visible light","authors":"Pravakar Mallick, Sradhanjali Raut, Shraban Kumar Sahoo, Santosh Kumar Satpathy","doi":"10.1016/j.diamond.2025.112943","DOIUrl":"10.1016/j.diamond.2025.112943","url":null,"abstract":"<div><div>In this work, a facile strategy was developed for the preparation of porous graphitic carbon nitride (g-C₃N₄) based CuO@Ag nanocomposite. A porous 2D g-C<sub>3</sub>N<sub>4</sub> sheet was prepared via a simple glucose-mediated thermal polymerization reaction. CuO nanoparticles were decorated on the g-C<sub>3</sub>N<sub>4</sub> surface using a simple precipitation method. Ag nanoparticles were formed on the g-C<sub>3</sub>N<sub>4</sub> surface by the reduction method. In this process, glucose is responsible for both the reduction of Ag and the creation of porous material. This is the first report of dual-functional synthesis using glucose. The crystalline phase, functionality, formation, morphology, and optical properties of synthesized nanomaterials were determined using XRD, FTIR, FESEM, TEM, and UV-DRS. The resulting composite material exhibited remarkable photocatalytic activity for the degradation of methylene blue dye and hydrogen evolution under visible-light irradiation. The optimized nanocomposite achieved ∼98 % dye removal within 120 min and a hydrogen evolution rate of 2700 μmol h<sup>−1</sup> g<sup>−1</sup>, which is much higher compared to single-component and pure g-C₃N₄. The degradation results also demonstrate excellent cyclic stability. The improved performance was ascribed to the localized surface plasmon resonance (LSPR) of Ag nanoparticles and effective electron–hole separation via a heterojunction process. The synergistic effect of CuO nanoparticles and plasmonic Ag on porous g-C₃N₄ significantly enhances visible light absorption, charge separation, and surface-active sites.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112943"},"PeriodicalIF":5.1,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145332471","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}

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