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Z-scheme 0D/2D Bi2MoO6 nanoparticles/phosphorus-doped g-C3N4 nanosheets for photocatalytic degradation of tetracycline hydrochloride under visible light irradiation Z-scheme 0D/2D Bi2MoO6纳米颗粒/磷掺杂g-C3N4纳米片在可见光下光催化降解盐酸四环素
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-03-01 Epub Date: 2025-12-24 DOI: 10.1016/j.diamond.2025.113261
Xudong Yin, Wenyu Xie, Dehao Li
A novel composite of Z-scheme 0D/2D Bi2MoO6 nanoparticles and P-doped g-C3N4 nanosheets (BMO NPs/PCNS) was successfully prepared. Taking tetracycline hydrochloride (TC-HCl) as the research object, the visible-light catalytic degradation performance of the composite material was investigated. The 50 % BMO NPs/PCNS composite exhibited the optimal performance in the photocatalytic degradation of TC-HCl, with a degradation efficiency of 76 %. The degradation rate constants were 3.1 times and 2.1 times higher than those of g-C3N4 nanosheets (CNS) and PCNS, respectively. The excellent photocatalytic performance could be ascribed to the expanded visible light absorption capability and photoelectric properties of CNS after P-doping. Moreover, the synergistic effect between BMO NPs and PCNS efficiently suppressed charge recombination. An investigation was conducted into the impacts of humic acid, various anions and cations, as well as distinct water substrates on the TC-HCl degradation efficiency. The results showed that 50 % BMO NPs/PCNS had strong practical application potential. The quenching experiment and ESR tests revealed that O2 and holes were the primary free radicals, along with the involvement of OH. A degradation mechanism based on the degradation intermediates and reaction pathways of TC-HCl was proposed. The present study furnishes novel perspectives for the synthesis of high-activity Z-scheme 0D/2D heterojunction photocatalysts.
成功制备了一种新型的Z-scheme 0D/2D Bi2MoO6纳米颗粒与p掺杂g-C3N4纳米片(BMO NPs/PCNS)的复合材料。以盐酸四环素(TC-HCl)为研究对象,考察了复合材料的可见光催化降解性能。50% BMO NPs/PCNS复合材料光催化降解TC-HCl的效果最佳,降解效率为76%。降解速率常数分别是CNS和PCNS的3.1倍和2.1倍。优异的光催化性能可归因于p掺杂后CNS的可见光吸收能力和光电性能的扩大。此外,BMO NPs和PCNS之间的协同效应有效地抑制了电荷重组。研究了腐植酸、各种阴离子和阳离子以及不同的水底物对TC-HCl降解效率的影响。结果表明,50% BMO NPs/PCNS具有较强的实际应用潜力。猝灭实验和ESR实验表明O2−和空穴是主要自由基,OH也参与其中。提出了一种基于TC-HCl降解中间体和反应途径的降解机理。本研究为合成高活性z型0D/2D异质结光催化剂提供了新的思路。
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引用次数: 0
Structure-guided functionalization of a carbon integrated bio-MOF/chitosan hybrid for the detoxification of Cr(VI) ions from water 碳集成生物mof /壳聚糖杂化物的结构引导功能化对水中Cr(VI)离子的解毒作用
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-03-01 Epub Date: 2026-02-07 DOI: 10.1016/j.diamond.2026.113421
R. Priyadharshini , S. Meenakshi
The contamination of water bodies by hexavalent chromium [Cr(VI)] poses a serious environmental threat due to its high toxicity and carcinogenicity, necessitating efficient removal strategies. In this study, a green-synthesized activated carbon incorporated bio-MOF chitosan composite (AC/MIP-202@Chi) was developed for Cr(VI) remediation. The composite exhibited a high adsorption capacity of 147.05 mg/g at pH 3 within 60 min. Adsorption followed the Langmuir isotherm and pseudo-second-order kinetics, indicating monolayer chemisorption. Thermodynamic studies revealed that the adsorption process is endothermic, spontaneous, and accompanied by an increase in randomness. Notably, XPS results revealed partial reduction of toxic Cr(VI) to less harmful Cr(III), demonstrating a dual adsorption–reduction mechanism. The composite also showed excellent selectivity toward Cr(VI) in the presence of competing ions and retained its performance over repeated cycles, highlighting outstanding reusability. Owing to its green synthesis, high efficiency, and durability, AC/MIP-202@Chi is a promising candidate for large-scale treatment of chromium-contaminated industrial wastewater.
六价铬[Cr(VI)]因其高毒性和致癌性对水体造成严重的环境威胁,需要高效的去除策略。本研究开发了一种绿色合成活性炭-生物mof壳聚糖复合材料(AC/MIP-202@Chi),用于Cr(VI)的修复。在pH为3的条件下,60 min内的吸附量可达147.05 mg/g。吸附遵循Langmuir等温线和拟二级动力学,表明是单层化学吸附。热力学研究表明,吸附过程是吸热的、自发的,并且伴随着随机性的增加。值得注意的是,XPS结果显示有毒的Cr(VI)部分还原为危害较小的Cr(III),证明了双重吸附-还原机制。在竞争离子存在的情况下,复合材料对Cr(VI)也表现出优异的选择性,并在重复循环中保持其性能,突出了突出的可重复使用性。AC/MIP-202@Chi具有绿色合成、高效、耐用等优点,是大规模处理含铬工业废水的理想选择。
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引用次数: 0
Dopamine-mediated multilayer graphene oxide/carbon nanotube composite fabrics for dual-mode strain-responsive and joule heating applications 多巴胺介导多层氧化石墨烯/碳纳米管复合织物的双模应变响应和焦耳加热应用
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-03-01 Epub Date: 2026-02-03 DOI: 10.1016/j.diamond.2026.113408
Chao Gu , Haifeng Zhang , Xu Xiang
As an indispensable material medium throughout human civilization from ancient times to the present, textiles have progressively evolved into intelligent and functional systems. This study introduces a dopamine-mediated composite strategy that utilizes dopamine self-polymerization to form polydopamine (PDA), significantly enhancing interfacial interactions and interlayer adhesion among nanomaterials. The resultant graphene oxide/carbon nanotube (GO/CNT) layered composite fabrics exhibit exceptional strain-responsive characteristics and controllable Joule heating performance. Experimental findings demonstrate that this composite fabric effectively addresses the challenges of poor compatibility and inadequate adhesion encountered during graphene-CNT composite fabrication, while achieving outstanding performance in interfacial bonding strength, mechanical robustness, response dynamics, and Joule heating efficiency. Notably, the three-layer GO/CNT/GO composite nonwoven fabric (GCG-NWF) achieves the highest interfacial adhesion, showing substantial improvement over dopamine-free fabrics. Its electrical conductivity reaches 3.04 S/m, significantly surpassing single-layer (0.29 S/m) and bilayer (1.29 S/m) configurations. GCG-NWF demonstrates stable performance in both strain and pressure response tests, and under 20 V input, it attains a thermal equilibrium temperature of approximately 35 °C within 60 s, showcasing good multifunctionality. These results collectively validate GCG-NWF's promising potential for applications in smart fabrics.
纺织品作为从古至今贯穿人类文明的不可或缺的物质媒介,已逐步发展成为具有智能和功能的系统。本研究介绍了一种多巴胺介导的复合策略,利用多巴胺自聚合形成聚多巴胺(PDA),显著增强了纳米材料之间的界面相互作用和层间粘附。所得氧化石墨烯/碳纳米管(GO/CNT)层状复合织物具有优异的应变响应特性和可控焦耳加热性能。实验结果表明,该复合材料有效地解决了石墨烯-碳纳米管复合材料制造过程中遇到的相容性差和附着力不足的挑战,同时在界面结合强度、机械稳健性、响应动力学和焦耳加热效率方面取得了出色的性能。值得注意的是,三层氧化石墨烯/碳纳米管/氧化石墨烯复合非织造布(GCG-NWF)的界面附着力最高,比不含多巴胺的织物有很大改善。其电导率达到3.04 S/m,显著优于单层(0.29 S/m)和双层(1.29 S/m)结构。GCG-NWF在应变和压力响应测试中都表现出稳定的性能,在20 V输入下,60 s内达到约35°C的热平衡温度,具有良好的多功能性。这些结果共同验证了ggg - nwf在智能织物中的应用潜力。
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引用次数: 0
Enhanced hydrogen storage in lithium-doped defective fullerenes: Experimental optimization, adsorption mechanisms, and kinetic–isotherm modeling 锂掺杂缺陷富勒烯增强储氢:实验优化、吸附机理和动力学等温线模型
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-03-01 Epub Date: 2026-02-03 DOI: 10.1016/j.diamond.2026.113399
Yasemin Turhan , Betül Duman , Mehmet Doğan , Ersin Yanmaz , Zeynep Bicil , Berna Koçer Kızılduman
This study investigates the enhancement of hydrogen storage capacity in fullerene (C60) through lithium doping and defect formation. Defective fullerenes (DC60) were synthesized via high-energy ball milling, and Li-doped variants were prepared using hydrothermal methods. FTIR revealed the disappearance of C60's characteristic bands and the emergence of new bands in doped and defective samples. Thermal analysis showed reduced stability and altered degradation mechanisms due to defect formation and lithium incorporation. SEM indicated significant morphological changes, with increased agglomeration in Li-doped particles. Particle size variations and symmetry loss were also observed post-milling.
Hydrogen storage performance depended on lithium concentration, temperature, and doping time. Among tested samples, the sample doped with 0.1 M LiNO₃ at 200 °C for 12 h (Li-D-C60–01 M-200C-12 h) showed the highest hydrogen uptake, attributed to its large surface area and micropore volume under high-pressure adsorption conditions and cryogenic temperatures, where excess adsorption behavior was observed.
Isotherm models fitted well with Freundlich and Langmuir equations, while kinetic data followed the pseudo-second-order model, indicating intra-particle diffusion as the rate-limiting step. EIS analysis demonstrated improved conductivity and reduced impedance in Li-doped samples due to enhanced diffusion-based charge transport. Pearson correlation analysis revealed strong positive relationships between hydrogen storage capacity and both BET surface area (r = 0.9033) and micropore volume (r = 0.8867), with the dominant influence arising from BET surface area; this indicates that Li doping affects performance primarily through modifications in pore accessibility and surface electronic structure.
Moreover, Li centers act as controllable hydrogen release valves, enabling safer and more reversible hydrogen desorption compared to pristine fullerene systems. These results demonstrate the promising potential of Li-doped defective fullerenes in hydrogen storage applications.
本文研究了通过锂掺杂和缺陷形成来增强富勒烯(C60)的储氢能力。采用高能球磨法合成了缺陷富勒烯(DC60),并采用水热法制备了掺杂锂的变体。FTIR显示,掺杂和缺陷样品中C60的特征带消失,新带出现。热分析表明,由于缺陷的形成和锂的掺入,稳定性降低,降解机制改变。扫描电镜显示了明显的形态变化,掺杂锂颗粒的团聚增加。磨后还观察到粒度变化和对称性损失。储氢性能取决于锂浓度、温度和掺杂时间。在测试样品中,掺杂0.1 M LiNO₃的样品在200°C下吸附12 h (Li-D-C60-01 M- 200c -12 h)表现出最高的吸氢率,这是因为在高压吸附条件下和低温下,Li-D-C60-01 M- 200c -12 h具有较大的比表面积和微孔体积,并观察到过量的吸附行为。等温线模型与Freundlich和Langmuir方程拟合良好,而动力学数据遵循伪二阶模型,表明颗粒内扩散是限速步骤。EIS分析表明,由于增强了基于扩散的电荷输运,锂掺杂样品的电导率得到改善,阻抗降低。Pearson相关分析表明,储氢容量与BET表面积(r = 0.9033)和微孔体积(r = 0.8867)呈正相关,其中BET表面积对储氢容量的影响最大;这表明Li掺杂主要通过改变孔隙可及性和表面电子结构来影响性能。此外,与原始的富勒烯系统相比,Li中心充当了可控的氢释放阀,实现了更安全、更可逆的氢解吸。这些结果证明了锂掺杂缺陷富勒烯在储氢方面的应用前景广阔。
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引用次数: 0
From abrasion to spallation: Stress-dependent transition of wear mechanisms in polycrystalline diamond governed by grain architecture 从磨损到剥落:由晶粒结构控制的聚晶金刚石磨损机制的应力依赖转变
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-03-01 Epub Date: 2026-02-07 DOI: 10.1016/j.diamond.2026.113417
Di Xu , Lifen Deng , Xiwei Cui , Shuai Hou , Jialin Li , Xiaoling Li , Nan Jiang
The wear resistance of a series of PDCs sintered from monomodal and trimodal diamond powders was evaluated by cutting granite on a vertical turret lathe, and the underlying degradation mechanisms were investigated. The results indicate that the wear area is predominantly governed by the cutting force, which escalates with the cutting depth (dc). When dc increases from 0.2 mm to 0.4 mm, the cutting normal (Fn) increases from ∼1700 N to 2750 N, therefore the wear mechanism transitions from predominant abrasion to severe spalling. Whatever dc was applied, it is found that the average scratch width increases proportionally with the diamond grain size, which supports that the dislodged diamond grains are likely to act as the primary abrasive media against PCD, rather than the granite debris. The average chipped area is also noted to increase with the grain size. For trimodal PDCs, the most inferior wear resistance occurs at the 44 wt% G24 PDC, where coarse diamond grains are isolated by the fine counterparts. Appropriately increasing the G24 content enhances wear resistance by reinforcing the continuity and robustness of the diamond skeleton. This observation suggests that the wear performance of PDCs is critically determined by the strength of diamond skeleton which could be strategically improved through the optimization of diamond powder size distribution.
通过在立式转塔车床上切割花岗岩,评价了单模态和三模态金刚石粉末烧结的一系列pdc的耐磨性,并对其降解机理进行了研究。结果表明:磨损面积主要由切削力控制,切削力随切削深度(dc)的增大而增大;当dc从0.2 mm增加到0.4 mm时,切削法向(Fn)从~ 1700 N增加到2750 N,因此磨损机制从主要磨损转变为严重剥落。无论施加何种直流电,平均划痕宽度都随金刚石晶粒尺寸成比例地增加,这支持了移出的金刚石晶粒可能作为PCD的主要研磨介质,而不是花岗岩碎屑。平均碎裂面积也随晶粒尺寸的增大而增大。对于三模态PDC,最差的耐磨性出现在44% wt%的G2-4 PDC,其中粗金刚石颗粒被细金刚石颗粒隔离。适当增加G2-4含量可以增强金刚石骨架的连续性和坚固性,从而提高其耐磨性。这一观察结果表明,金刚石骨架的强度决定了pdc的磨损性能,而金刚石骨架的强度可以通过优化金刚石粉末粒度分布来有策略地提高其磨损性能。
{"title":"From abrasion to spallation: Stress-dependent transition of wear mechanisms in polycrystalline diamond governed by grain architecture","authors":"Di Xu ,&nbsp;Lifen Deng ,&nbsp;Xiwei Cui ,&nbsp;Shuai Hou ,&nbsp;Jialin Li ,&nbsp;Xiaoling Li ,&nbsp;Nan Jiang","doi":"10.1016/j.diamond.2026.113417","DOIUrl":"10.1016/j.diamond.2026.113417","url":null,"abstract":"<div><div>The wear resistance of a series of PDCs sintered from monomodal and trimodal diamond powders was evaluated by cutting granite on a vertical turret lathe, and the underlying degradation mechanisms were investigated. The results indicate that the wear area is predominantly governed by the cutting force, which escalates with the cutting depth (dc). When dc increases from 0.2 mm to 0.4 mm, the cutting normal (Fn) increases from ∼1700 N to 2750 N, therefore the wear mechanism transitions from predominant abrasion to severe spalling. Whatever dc was applied, it is found that the average scratch width increases proportionally with the diamond grain size, which supports that the dislodged diamond grains are likely to act as the primary abrasive media against PCD, rather than the granite debris. The average chipped area is also noted to increase with the grain size. For trimodal PDCs, the most inferior wear resistance occurs at the 44 wt% G<sub>2</sub><sub>–</sub><sub>4</sub> PDC, where coarse diamond grains are isolated by the fine counterparts. Appropriately increasing the G<sub>2</sub><sub>–</sub><sub>4</sub> content enhances wear resistance by reinforcing the continuity and robustness of the diamond skeleton. This observation suggests that the wear performance of PDCs is critically determined by the strength of diamond skeleton which could be strategically improved through the optimization of diamond powder size distribution.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"163 ","pages":"Article 113417"},"PeriodicalIF":5.1,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146185638","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
Plasma-synthesized graphene oxide quantum dots: Structure, thermal relaxation, and coupled magnetocaloric effect 等离子体合成氧化石墨烯量子点:结构、热松弛和耦合磁热效应
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-03-01 Epub Date: 2026-01-27 DOI: 10.1016/j.diamond.2026.113375
Nikolay Sirotkin , Olga Balmasova , Alexey Dyshin , Anatoly Sarapulov , Ruslan Kryukov , Alena Shkapina , Viktor Korolev
Graphene oxide quantum dots (GOQDs) represent a promising class of carbon nanomaterials with exceptional optical, electronic, and biocompatible properties. This study presents a novel, environmentally friendly synthesis of GOQDs using pulsed underwater discharge plasma, enabling the production of highly functionalized quantum dots without additional chemical precursors. The synthesized GOQDs were comprehensively characterized using a suite of physicochemical techniques, including X-ray diffraction (XRD), Fourier-transform infrared (FTIR) spectroscopy, Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), UV–visible absorption, photoluminescence spectroscopy, thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). Structural analyses confirmed the formation of nanocrystalline, defect-rich particles with an average size of 2–8 nm, featuring a high density of oxygen-containing functional groups predominantly located at edges and defect sites. Optical studies revealed an absorption band at approximately 240 nm, a calculated optical band gap of 2.4 eV, and green-yellow photoluminescence centered at 565 nm, attributed to the synergistic effects of defect-state emission and quantum confinement. Thermal analysis identified distinct, reproducible heat capacity peaks at approximately 41.5 °C, 55.3 °C, and 59.6 °C, which correlate with in situ Raman spectral evolution and are interpreted as configurational relaxations and defect annealing within the metastable carbon lattice. Furthermore, the magnetocaloric effect (MCE) and entropy changes (ΔS) were investigated under external magnetic fields ranging from 0.2 to 1.0 T. The observed maxima in MCE and ΔS curves coincide with the thermal anomalies in heat capacity, demonstrating a strong coupling between structural rearrangements and magnetic entropy.
氧化石墨烯量子点(GOQDs)具有优异的光学、电子和生物相容性,是一种很有前途的碳纳米材料。本研究提出了一种新颖、环保的利用脉冲水下放电等离子体合成GOQDs的方法,使高功能化量子点的生产无需额外的化学前体。利用x射线衍射(XRD)、傅里叶变换红外(FTIR)光谱、拉曼光谱、x射线光电子能谱(XPS)、透射电子显微镜(TEM)、紫外可见吸收光谱、光致发光光谱、热重分析(TGA)和差示扫描量热法(DSC)等一系列物理化学技术对合成的GOQDs进行了全面表征。结构分析证实形成了纳米晶,平均尺寸为2-8 nm,具有高密度的含氧官能团,主要位于边缘和缺陷位置。光学研究表明,由于缺陷态发射和量子约束的协同作用,该材料具有约240 nm的吸收带,2.4 eV的光学带隙,以及以565 nm为中心的黄绿色光致发光。热分析发现,在大约41.5°C、55.3°C和59.6°C处,热容峰值明显,可重复,这与原位拉曼光谱演化有关,并被解释为亚稳碳晶格内的构型弛豫和缺陷退火。此外,在0.2 ~ 1.0 t的外加磁场范围内,研究了磁热效应(MCE)和熵变化(ΔS)。MCE和ΔS曲线的最大值与热容的热异常相吻合,表明结构重排和磁熵之间存在强耦合。
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引用次数: 0
Sustainable seaweed-derived nitrogen-doped porous carbon cathodes with redox-active electrolytes for high-performance zinc-ion hybrid supercapacitors 具有氧化还原活性电解质的海藻衍生氮掺杂多孔碳阴极用于高性能锌离子混合超级电容器
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-03-01 Epub Date: 2026-01-16 DOI: 10.1016/j.diamond.2026.113342
Priyadarshini Venkatachalam , Nagaraj Murugan , D.S. Aditya , Karmegam Dhanabalan , Mani Arivazhagan , Jaroon Jakmunee , Sethumathavan Vadivel , S.K. Nataraj , Yoong Ahm Kim
Rechargeable zinc-ion hybrid supercapacitors (ZHSCs) are a promising next-generation energy storage technology due to their low cost, high energy density, safety, and cycle durability. However, their practical applications are hindered by low energy density, primarily governed by the properties of the cathode materials and electrolytes. Here, we report a sustainable strategy to prepare seaweed-derived nitrogen-doped porous carbon nanosheets (SNPCNs) as high-performance cathodes. Nitrogen doping creates abundant electroactive sites, improves electrolyte wettability, and accelerates Faradaic reactions. In addition, introducing a small amount of redox additive (0.05 M ZnI₂) into the aqueous ZnSO₄ electrolyte significantly boosts charge storage via additional redox reactions. Benefiting from this synergistic electrode and electrolyte design, the Zn//3 M ZnSO₄ + 0.05 M ZnI₂//SNPCN cell achieves a high specific capacitance of 340 F g−1 at 0.1 A g−1, with energy densities of 109.48 Wh kg−1. The device also shows excellent cycling stability, retaining 75% capacitance after 1500 cycles. A practical four-cell, 6.4 V device successfully powered multiple LEDs for over 42 min, demonstrating strong energy delivery. This work provides a green, cost-effective route to heteroatom-doped porous carbon for advanced, sustainable zinc-ion energy storage systems.
可充电锌离子混合超级电容器(ZHSCs)具有低成本、高能量密度、安全性和循环耐久性等优点,是一种很有前途的新一代储能技术。然而,它们的实际应用受到低能量密度的阻碍,主要是由正极材料和电解质的性质决定的。在这里,我们报告了一种可持续的策略来制备海藻衍生的氮掺杂多孔碳纳米片(SNPCNs)作为高性能阴极。氮掺杂产生了丰富的电活性位点,提高了电解质的润湿性,加速了法拉第反应。此外,在硫酸锌水溶液中加入少量氧化还原添加剂(0.05 M ZnI 2)可通过附加氧化还原反应显著提高电荷的存储能力。得益于这种协同电极和电解质设计,Zn//3 M ZnSO₄+ 0.05 M ZnI₂//SNPCN电池在0.1 a g−1时获得了340 F g−1的高比电容,能量密度为109.48 Wh kg−1。该器件还具有优异的循环稳定性,在1500次循环后保持75%的电容。一个实用的四电池,6.4 V器件成功地为多个led供电超过42分钟,展示了强大的能量输送。这项工作为先进的、可持续的锌离子储能系统提供了一种绿色、经济的杂原子掺杂多孔碳途径。
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引用次数: 0
First-principles screening of 1D van der Waals heterostructures based on oligochalcogenophenes encapsulated within 1D crystal nanotubes for stable and efficient excitonic solar cells 基于低聚乙醇烯的一维晶体纳米管内范德华异质结构的第一性原理筛选,用于稳定高效的激子太阳能电池
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-03-01 Epub Date: 2026-01-31 DOI: 10.1016/j.diamond.2026.113383
S. Elhadfi , J. Chenouf
The power conversion efficiency (PCE) of excitonic solar cells (XSCs) based on organic semiconductors has reached over 20%. However, the combination of high PCE and long-term stability is still a major conundrum of commercialization. To achieve this goal, we highlight here a promising strategy based on exploiting the empty space within 1D crystal nanotubes (NTs) to encapsulate photoactive organic molecules, creating 1D van der Waals heterostructures (1D vdWHTs) with tunable optoelectronic properties. Aiming to provide theoretical guidance for the rapid selection of 1D vdWHTs based on NTs encapsulating π-conjugated molecules towards stable and efficient XSCs, comprehensive first-principles calculations are carried out to study the energetic stability, optoelectronic behavior, and photovoltaic potential of single-walled carbon, boron-phosphide, and germanium-carbide NTs filled with a series of π-conjugated oligochalcogenophenes (nX). We demonstrate that the host NTs combined with the guest nX can provide XSCs with tunable optoelectronic properties, electron-donor/electron-acceptor interface band alignment, and PCE. Intriguingly, we evidence that including the contribution of nX electron-acceptors with strong NIR/visible absorption can significantly enhance the PCE, potentially reaching over 28%. This work emphasizes the importance of nX@NTs-based 1D vdWHTs strategy in tuning the photovoltaic performances, leading to development of novel heterostructures for stable and efficient XSCs.
基于有机半导体的激子太阳能电池(XSCs)的功率转换效率(PCE)达到20%以上。然而,高PCE和长期稳定性的结合仍然是商业化的主要难题。为了实现这一目标,我们在这里强调了一种有前途的策略,该策略基于利用一维晶体纳米管(NTs)内的空白空间来封装光活性有机分子,从而创建具有可调谐光电特性的一维范德华异质结构(1D vdWHTs)。为了给基于纳米碳管封装π共轭分子的一维vdWHTs快速选择提供理论指导,本文采用第一性原理计算方法,研究了填充一系列π共轭寡硫基苯(nX)的单壁碳纳米碳管、磷化硼纳米碳管和碳化锗纳米碳管的能量稳定性、光电行为和光伏电位。我们证明了宿主NTs与客体nX结合可以为XSCs提供可调谐的光电性能,电子-供体/电子-受体界面带对准和PCE,有趣的是,我们证明了包括具有强近红外/可见吸收的nX电子受体的贡献可以显着提高PCE,可能达到28%以上。这项工作强调nX@NTs-based 1D vdWHTs策略在调整光伏性能方面的重要性,从而开发出稳定高效的XSCs的新型异质结构。
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引用次数: 0
High-temperature oxygen plasma etching for enhancing the electrochemical oxidation performance of boron-doped diamond electrodes 提高掺硼金刚石电极电化学氧化性能的高温氧等离子体刻蚀
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-03-01 Epub Date: 2026-01-31 DOI: 10.1016/j.diamond.2026.113364
Hao Wu , Haichao Li , Zejun Deng , Jie Wang , Rongkai Ge , Yijia Wang , Kechao Zhou , Quiping Wei , Li Ma
Boron-doped diamond (BDD) electrodes are recognized as highly promising anodes for electrochemical advanced oxidation processes owing to the wide potential window, high stability, and superior electrochemical oxidation capability. Nevertheless, their practical applications are limited by electrochemically active surface area (EASA) and insufficient mass transfer efficiency. In this work, a strategy of oxygen plasma etching at different temperatures (550 °C, 650 °C, and 750 °C) was employed to enhance the electrochemical oxidation performance of BDD anodes. Increasing the etching temperature intensifies the etching of crystal facets, leading to the formation of nanopores at 650 °C, while excessive etching at 750 °C results in grain fragmentation. The plasma-induced morphological evolution increased the EASA and facilitated interfacial mass transfer, thereby substantially improving the electrochemical oxidation efficiency. Among the etched electrodes, 650 °C-BDD has the highest EASA, with a degradation rate constant of 3.89 ± 0.11 h−1 for Reactive Blue 19 (RB-19), which is close to a sixfold enhancement compared with that of pristine BDD. Moreover, the TOC removal rate of the 650 °C-BDD electrode was nearly 2.4 times higher than that of pristine BDD, while reducing the TOC energy consumption by about 35.2%. These results demonstrate a clear correlation between oxygen plasma etching temperature, BDD surface morphology, and electrochemical oxidation efficiency, thereby providing practical guidance for the rational design of high-performance diamond anodes in advanced wastewater treatment applications.
掺硼金刚石(BDD)电极具有宽电位窗、高稳定性和优异的电化学氧化性能,是一种非常有前途的电化学高级氧化阳极。然而,它们的实际应用受到电化学活性表面积(EASA)和传质效率不足的限制。本文采用不同温度(550°C、650°C和750°C)下的氧等离子体刻蚀策略来提高BDD阳极的电化学氧化性能。升高刻蚀温度会加剧晶面的刻蚀,在650℃时形成纳米孔,而在750℃时过度刻蚀则会导致晶粒破碎。等离子体诱导的形态演化增加了EASA,促进了界面传质,从而大大提高了电化学氧化效率。其中,650°C-BDD的EASA最高,对活性蓝19 (RB-19)的降解速率常数为3.89±0.11 h−1,比原始BDD提高了近6倍。650℃-BDD电极的TOC去除率是原始BDD电极的近2.4倍,TOC能耗降低约35.2%。这些结果证明了氧等离子体刻蚀温度、BDD表面形貌和电化学氧化效率之间存在明显的相关性,从而为废水深度处理应用中高性能金刚石阳极的合理设计提供了实践指导。
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引用次数: 0
Oxygen in diamond: Thermal stability of ST1 spin centres and creation of oxygen-pair complexes 金刚石中的氧:ST1自旋中心的热稳定性和氧对配合物的产生
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-03-01 Epub Date: 2026-02-02 DOI: 10.1016/j.diamond.2026.113395
Paul Neugebauer , Xinxi Huang , Chloe Newsom , Christophe Arnold , Hjørdis Martelock , Séverine Diziain , Edoardo Monnetti , Jocelyn Achard , Tobias Lühmann , Paolo Olivero , Jan Meijer , Julien Barjon , Alexandre Tallaire , Sébastien Pezzagna
Little is known about oxygen-related defects in diamond. Recently, the promising room-temperature spin centre named ST1 was identified as an oxygen centre, but of still unknown atomic structure and thermal stability. In this work, we report on the optically active oxygen-related centres and the conditions for their formation, using ion implantation of oxygen in various conditions of depth and fluence. More specifically, we establish the temperature formation/stability range of the ST1 centre, which has a maximum at about 1100 °C and is narrower than for NV centres. In these conditions, optically detected magnetic resonance (ODMR) on small ST1 ensembles was measured with a spin readout contrast of >20% at 300 K. In cathodoluminescence, the 535 nm ST1 peak is not observed. Besides, a broad peak centred at 460 nm is measured for implantation of O2 molecular ions. For an annealing temperature of 1500 °C, a different centre is formed (with ZPL at 584.5 nm) with an intensity increasing with a power law 1.5 < p < 1.9 dependence from the implantation fluence. This suggests that this centre contains two oxygen atoms. Besides, a new spectral feature associated to an intrinsic defect was also observed, with four prominent lines (especially at 594 nm). Finally, the thermal formation and stability of oxygen centres in diamond presented here are important for the identification of the atomic structure of defects such as the ST1 and possible O2Vx complex by means of ab initio calculations. Indeed, the formation energies and charge states of defect centres are easier to compute than the full energy level scheme, which to date still remains unsuccessful regarding the ST1 centre.
人们对金刚石中与氧有关的缺陷知之甚少。最近,一个很有前途的室温自旋中心ST1被确定为氧中心,但其原子结构和热稳定性仍然未知。在这项工作中,我们报告了光学活性氧相关中心及其形成的条件,使用氧离子注入在不同的深度和影响条件下。更具体地说,我们建立了ST1中心的温度形成/稳定范围,其最大值约为1100°C,比NV中心窄。在这些条件下,在300 K下测量了小型ST1器件的光学检测磁共振(ODMR),自旋读数对比度为>;20%。在阴极发光中,没有观察到535 nm的ST1峰。此外,在注入O2分子离子时,测量到以460 nm为中心的宽峰。当退火温度为1500℃时,形成了一个不同的中心(ZPL位于584.5 nm),其强度随注入量的增加呈1.5 < p <; 1.9的幂律增加。这表明这个中心含有两个氧原子。此外,还观察到与内在缺陷相关的新光谱特征,有四条突出的谱线(特别是在594 nm处)。最后,本文提出的金刚石中氧中心的热形成和稳定性对于通过从头计算识别ST1和可能的O2Vx配合物等缺陷的原子结构具有重要意义。事实上,缺陷中心的形成能和电荷态比全能级方案更容易计算,迄今为止,对于ST1中心,全能级方案仍然不成功。
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Diamond and Related Materials
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