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Toxic dyes adsorption using sheep horn activated carbon: Mechanism, DFT study, artificial neural network, Box–Behnken modeling, and cost estimation 羊角活性炭吸附有毒染料:机理、DFT研究、人工神经网络、Box-Behnken模型和成本估算
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-01-16 DOI: 10.1016/j.diamond.2026.113343
Youssef Miyah , Mohammed Benjelloun , Omar Boualam , Souad El Alami , Fatiha Mejbar , Ibtissam Bouabadi , Abdelilah Merabti , Noureddine El Messaoudi , Mouslim Messali , Ashraf M. Al-Msiedeen , Sanae Lairini
Sheep horn activated carbon with KOH (SHAC) proved to be an effective adsorbent for removing Crystal Violet (CV) and Congo Red (CR). Fourier Transform Infrared (FTIR) analyses confirmed the presence of –OH, –SH, CC, CN, NH, and COO functional groups derived from keratin, while Thermogravimetric Analysis coupled with Differential Thermal Analysis (TGA/DTA) revealed the decomposition of oxidized proteins and the crystallization of KOH-bound water. For CV, the optimal adsorption equilibrium efficiency reached 98.62% at [CV] = 40 mg L−1, dose = 1.25 g L−1, pH = 10, contact time = 50 min; adsorption followed the Langmuir and pseudo-first-order models, indicating physisorption with increasing disorder. For CR, the maximum equilibrium adsorption is 73.89% at [CR] = 40 mg L−1, adsorbent dose = 1.25 g L−1, pH = 2, contact time = 50 min following Temkin, Freundlich, and pseudo-first-order kinetics, reflecting endothermic physisorption. The Artificial Neural Network (ANN) models perform excellently (R2 = 0.965, MSE = 2.9374 for CV, and R2 = 0.9718, MSE = 4.963 for CR), and Box Behnken Design (BBD) confirms their validity (ANOVA p-value = 0.0038 for CV, 0 for CR, Cook's distance <0.2). Density Functional Theory (DFT) calculations show that CV (ΔE = 1.735 eV, S = 0.567 eV, ω = 9.175 eV) is more reactive than CR (ΔE = 2.833 eV, η = 1.416 eV). Electrostatic potential (ESP) maps and Fukui indices identify nitrogen atoms, aromatic carbon atoms, and –SO3 and –N=N– groups as active sites. After 5 thermal regeneration cycles, SHAC retains 69% of its capacity for CV and 23% for CR. The adsorption cost is estimated at $0.32 L−1, confirming the efficiency, durability, and cost-effectiveness of SHAC.
经实验证明,带KOH的羊角活性炭(SHAC)是一种去除结晶紫(CV)和刚果红(CR)的有效吸附剂。傅里叶红外(FTIR)分析证实角蛋白中存在-OH、-SH、CC、CN、NH和COO官能团,热重分析和热差分析(TGA/DTA)显示氧化蛋白的分解和koh结合水的结晶。对于CV,当[CV] = 40 mg L−1,剂量= 1.25 g L−1,pH = 10,接触时间= 50 min时,最佳吸附平衡效率为98.62%;吸附遵循Langmuir和拟一阶模型,表明物理吸附的无序性增加。对于CR,当[CR] = 40 mg L−1,吸附剂剂量= 1.25 g L−1,pH = 2,接触时间= 50 min,符合Temkin, Freundlich和准一级动力学,反映吸热物理吸附,最大平衡吸附率为73.89%。人工神经网络(ANN)模型表现优异(CV = R2 = 0.965, MSE = 2.9374, CR = R2 = 0.9718, MSE = 4.963), Box Behnken Design (BBD)证实了它们的有效性(方差分析p值= 0.0038,CR = 0, Cook's distance <0.2)。密度泛函理论(DFT)计算表明,CV (ΔE = 1.735 eV, S = 0.567 eV, ω = 9.175 eV)比CR (ΔE = 2.833 eV, η = 1.416 eV)更具活性。静电电位(ESP)图和福井指数表明氮原子、芳香碳原子和- so3−和- N=N -基团是活性位点。经过5次热再生循环后,SHAC保留了69%的CV容量和23%的CR容量,吸附成本估计为0.32 L−1,证实了SHAC的效率、耐用性和成本效益。
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引用次数: 0
Ultralight and multidimensional chitosan-based aerogel composites with an enhanced microwave absorption performance 具有增强微波吸收性能的超轻和多维壳聚糖基气凝胶复合材料
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-01-16 DOI: 10.1016/j.diamond.2026.113333
Mahdieh Dehghani-Dashtabi, Hoda Hekmatara, Masoud Mohebbi
Porous polymer aerogels are emerging as the next generation of electromagnetic wave (EMW) absorbers due to their low density, adaptability, environmental friendliness, broad bandwidth and high dielectric loss. In this study, different ratios (35, 50 and 75 wt%) of MoSe₂/MWCNT/MMT nanocomposites which were named as C2-C4 and MWCNT-free was named as C1 were incorporated into the chitosan matrix as filler with different weight ratios to chitosan and the ultralight and multidimensional MoSe₂/MWCNT/MMT-Chitosan aerogels were prepared via freeze-drying. MoSe₂/MWCNT/MMT (50 wt%)-Chitosan (C3) composite was the optimized sample exhibiting the highest reflection loss of −84.40 dB at a thickness of 2.6 mm, with a remarkable bandwidth of 10 GHz covering the entire X and Ku bands. This exceptional performance is attributed to the synergistic effects of various loss mechanisms, including the conduction loss facilitated by Multi-walled carbon nanotube) MWCNT(, the dipole and interfacial polarizations created by MoSe₂ and Montmorillonite) MMT(, and the multiphase activity due to the polygonal porous morphology. Notably, this high microwave absorption efficiency is achieved without magnetic components, offering significant potential for the design of advanced, lightweight, stable, and high-performance microwave absorbers. The radar cross-section (RCS) and far-field measurements demonstrated that coating a perfect electric conductor (PEC) sphere with each composite of C1, C2 and C3 led to a pronounced attenuation effect, achieving reductions of about 30–48 dB in RCS and 18 dB in the scattered far-field intensity.
多孔聚合物气凝胶具有低密度、适应性强、环境友好、宽带宽和高介电损耗等优点,正成为下一代电磁波吸收材料。本研究将不同重量比(35、50、75% wt%)的MoSe₂/MWCNT/MMT纳米复合材料分别命名为C2-C4和无MWCNT命名为C1,作为与壳聚糖重量比不同的填料加入到壳聚糖基体中,通过冷冻干燥法制备了超轻、多层的MoSe₂/MWCNT/MMT-壳聚糖气凝胶。MoSe₂/MWCNT/MMT (50 wt%)-壳聚糖(C3)复合材料在厚度为2.6 mm时的反射损耗最高,为−84.40 dB,具有覆盖整个X和Ku波段的10 GHz带宽。这种优异的性能归因于多种损耗机制的协同作用,包括多壁碳纳米管(MWCNT)导致的传导损耗()、二氧化硅和蒙脱土(MWCNT)产生的偶极子和界面极化(),以及多相多孔形态导致的多相活性。值得注意的是,这种高微波吸收效率是在没有磁性元件的情况下实现的,这为设计先进、轻便、稳定和高性能的微波吸收器提供了巨大的潜力。雷达截面(RCS)和远场测量结果表明,在完美电导体(PEC)球表面涂覆C1、C2和C3的复合材料具有明显的衰减效果,RCS降低约30-48 dB,远场散射强度降低约18 dB。
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引用次数: 0
Color evolution of type Ib synthetic diamonds after high dose electron irradiation followed by low-temperature annealing 高剂量电子辐照后Ib型合成金刚石低温退火后的颜色演变
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-01-16 DOI: 10.1016/j.diamond.2026.113334
N.M. Kazuchits , V.N. Kazuchits , M.S. Rusetsky , A.M. Zaitsev
Color transformations of yellow type Ib synthetic diamond subjected to high dose electron irradiation followed by annealing at moderate temperatures have been studied. Neutral vacancies and interstitial-vacancy complexes unstable to high temperature are shown to be the major intrinsic defects underlying the process of the color transformations, which are distinguished by two annealing stages: at about 300–400 °C for interstitial-vacancy complexes and 750–850 °C for vacancies. It has been found that annealing at temperatures from 550 to 650 °C may result in total removal of yellow color. This discoloration is explained by the conversion of neutral nitrogen C-defects into positively charged N+ defects, partial annealing of neutral vacancies (GR1 centers) and disappearance of the broad absorption 2 eV band (maximum at a wavelength 630 nm), which is attributed to neutral vacancies interacting with nearby interstitials (interstitial-vacancy complexes). Annealing at temperatures above 650 °C produces purple color in areas with high nitrogen concentration due to dominating NV defects, and yellow color in areas with low nitrogen concentration due to dominating NV0 defects.
本文研究了黄色Ib型人造金刚石经高剂量电子辐照后在中等温度下的色变。中性空位和对高温不稳定的间隙-空位配合物是颜色转变过程中主要的内在缺陷,这可以通过两个退火阶段来区分:间隙-空位配合物在300-400°C退火,空位在750-850°C退火。已经发现,在550至650°C的温度下退火可以完全去除黄色。这种变色是由中性氮c缺陷转化为带正电的N+缺陷、中性空位(GR1中心)的部分退火和宽吸收2ev波段的消失(最大波长为630 nm)造成的,这是由于中性空位与附近的间隙(间隙-空位配合物)相互作用造成的。在650℃以上退火时,由于NV−缺陷占主导地位,高氮区呈现紫色,低氮区由于NV0缺陷占主导地位呈现黄色。
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引用次数: 0
Self-aligned patterning process for high aspect-ratio nanostructuring in single-crystal diamond 单晶金刚石高纵横比纳米结构的自对准图像化工艺
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-01-16 DOI: 10.1016/j.diamond.2026.113339
Ou Zhang , Fang Jiao , Gang-Qin Liu , Sichen Mi , Feng Luo
Fabrication of nanostructures in single-crystal diamond is of crucial importance for various applications in sensing, optics, electronics, microelectromechanical systems (MEMS), etc. However, it is not trivial to achieve some design requirements of these nanostructures in fabrication processes, especially when certain device concepts require high aspect-ratio (HAR), exact tapering angle, or sharp edge/tip radius. We devise and demonstrate a top-down process flow leveraging self-aligned patterning technique that allows us to fabricate stepped conical nanopillars with height ranging from 3 to 5.5 μm, and tip radius from 5 to 200 nm. This stepped structure can be designed and manufactured for enhanced stiffness or for extended aspect ratio depending on device requirements. The fabrication process is applicable for standard wafer-level MEMS foundries, and could be readily used for the fabrication of scanning probes, electron emission electrodes, nanoindenter tips, etc., with high uniformity and repeatability in a scaled up fashion.
单晶金刚石纳米结构的制备对于传感、光学、电子、微机电系统(MEMS)等领域的应用具有重要意义。然而,在制造过程中实现这些纳米结构的一些设计要求并非易事,特别是当某些器件概念需要高宽高比(HAR),精确的锥度角或锋利的边缘/尖端半径时。我们设计并演示了一种自上而下的工艺流程,利用自对准图像化技术,使我们能够制造高度从3到5.5 μm,尖端半径从5到200 nm的阶梯锥形纳米柱。这种阶梯式结构可以根据设备要求设计和制造增强刚度或扩展宽高比。该工艺适用于标准晶圆级MEMS代工厂,可用于扫描探头、电子发射电极、纳米压头尖端等的制造,具有高均匀性和可重复性。
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引用次数: 0
Tribological behavior of polycrystalline diamond compact in high temperature drilling fluid: Revealing the wear-oxidation/corrosion synergistic effect 聚晶金刚石致密体在高温钻井液中的摩擦学行为:揭示磨损-氧化/腐蚀协同效应
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-01-16 DOI: 10.1016/j.diamond.2026.113331
Ting Xue , Kai Zhang , Yu Wang , Lingrong Kong
This study systematically evaluated the tribological behaviors of polycrystalline diamond compact (PDC) when paired with various materials in high temperature drilling fluid. The results demonstrated that PDC/Si3N4 exhibited excellent overall performance under high temperature, with both the coefficient of friction and wear rate being significantly lower than those at room temperature. This phenomenon was attributed to an effective wear-oxidation lubrication mechanism: high temperature promoted the formation of a composite synergistic film consisting of both oxide layer and carbonaceous material. In contrast, although PDC/steel showed reduced the coefficient of friction under high temperature, this was accompanied by an increased wear rate. The decrease in the coefficient of friction primarily originated from decreased shear strength due to material softening and improved graphitization degree within the transfer layer. However, high temperature also aggravated both oxidation processes and adhesive wear. Coupled with the corrosion induced by Cl in the drilling fluid, multiple failure mechanisms interacted synergistically, leading to accelerated wear.
本研究系统评估了聚晶金刚石压片(PDC)与不同材料在高温钻井液中的摩擦学行为。结果表明,PDC/Si3N4在高温下表现出优异的综合性能,摩擦系数和磨损率均显著低于室温。这一现象归因于一种有效的磨损-氧化润滑机制:高温促使氧化层和碳质材料形成复合协同膜。相比之下,尽管PDC/钢在高温下的摩擦系数降低,但同时伴随着磨损率的增加。摩擦系数降低的主要原因是材料软化导致的抗剪强度降低和传递层内石墨化程度的提高。然而,高温也加剧了氧化过程和胶粘剂磨损。再加上钻井液中Cl−的腐蚀作用,多种失效机制协同作用,导致磨损加速。
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引用次数: 0
Research on diamond deposition doped with B and Sn by laser irradiation in MPCVD and its electrochemical properties 激光辐照MPCVD掺杂B、Sn金刚石沉积及其电化学性能研究
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-01-15 DOI: 10.1016/j.diamond.2026.113328
Bochun Li , Kesheng Guo , Yuxiang Xu , Bin He , Xiaodong Guo , Yinghao Xuan , Lang Hu , Qiang Hu , Wei Dai , Qimin Wang
Doped diamond coatings, as a novel electrode material with wide potential windows, high stability, and low adsorption, hold great promise for electrochemical and water purification applications. This study reports, for the first time, the preparation of SnBDD boron‑tin co-doped diamond coatings using the MPCVD method. By controlling the laser treatment process, elements B and Sn were doped into the diamond, and the surface morphology, elemental composition, and electrochemical performance were analyzed. It was detected that Sn formed bonds with C, confirming its successful incorporation into the diamond coating. Furthermore, Material Studio was used to simulate and analyze spectral changes after diamond doping. Experiments showed that the potential window of the diamond coating doped with B and Sn elements expanded by approximately 0.5–1.7 eV, enhancing its performance and durability as an electrode for water purification and SnBDD electrodes achieved ∼97% transmittance within 60 min of simulated wastewater treatment, Simultaneously, the absorbance of the simulated waste liquid significantly decreased after treatment, demonstrating near-complete organic decomposition and superior performance over single-doped BDD electrodes. These findings open avenues for multi-element doping strategies to further enhance diamond electrodes' performance and durability for advanced electrochemical applications.
掺杂金刚石涂层作为一种新型电极材料,具有宽电位窗、高稳定性、低吸附性等优点,在电化学和水净化领域具有广阔的应用前景。本研究首次报道了用MPCVD方法制备SnBDD硼锡共掺杂金刚石涂层。通过控制激光处理工艺,将B、Sn元素掺杂到金刚石中,分析其表面形貌、元素组成和电化学性能。检测到Sn与C形成键,证实其成功地结合到金刚石涂层中。利用Material Studio模拟分析了金刚石掺杂后的光谱变化。实验表明,掺杂B和Sn元素的金刚石涂层的电位窗口扩大了约0.5-1.7 eV,提高了其作为水净化电极的性能和耐久性,SnBDD电极在模拟废水处理60 min内达到了~ 97%的透光率,同时处理后模拟废液的吸光度显著降低。展示了近乎完全的有机分解和优于单掺杂BDD电极的性能。这些发现为多元素掺杂策略开辟了道路,以进一步提高金刚石电极的性能和耐久性,用于高级电化学应用。
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引用次数: 0
Dual functional rGO/BiFeO3 nanocomposites for efficient visible light photocatalysis and bactericidal performance 双功能氧化石墨烯/BiFeO3纳米复合材料的高效可见光光催化和杀菌性能
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-01-15 DOI: 10.1016/j.diamond.2026.113324
J. Sebastin Anitha , Govindhasamy Murugadoss , Nachimuthu Venkatesh , R. Ragu , J. Emima Jeronsia
The escalating demand for advanced wastewater treatment strategies has catalysed the development of next-generation photocatalytic materials capable of concurrently degrading organic pollutants and inactivating microbial pathogens. This work presents the hydrothermal synthesis of a reduced graphene oxide/BiFeO3 (rGO/BF) nanocomposite for dual photocatalytic and antibacterial environmental remediation. The photocatalytic performance of the as-synthesized rGO/BF nanocomposite was systematically investigated by varying catalyst dosages (0.2 g/L, 0.3 g/L and 0.4 g/L). Notably, the 0.3 g/L dosage exhibited optimal activity, achieving an impressive 95.8% degradation of 20 ppm methyl orange (MO) under visible light irradiation within 120 min. Kinetic analysis based on pseudo first order model revealed that rGO/BF photocatalyst shows a rate constant (k) value of 0.0467 min−1 with a high correlation coefficient (R2 = 0.9629). The bactericidal efficacy of the rGO/BF nanocomposite was systematically assessed using the well diffusion method against both Gram-positive bacteria - Bacillus subtilis, Staphylococcus aureus, and Bacillus cereus and Gram-negative strains including Pseudomonas aeruginosa, Vibrio cholerae, and Klebsiella pneumonia. Remarkably, the rGO/BF nanocomposite manifest better antibacterial activity against Staphylococcus aureus, with a substantial zone of inhibition measuring
15.5 mm. The rGO/BF nanocomposite demonstrates improved visible-light photocatalytic and antibacterial performance, highlighting its potential for multifunctional environmental remediation.
对高级废水处理策略的不断增长的需求促进了下一代光催化材料的发展,这些材料能够同时降解有机污染物和灭活微生物病原体。本文介绍了一种用于双光催化和抗菌环境修复的还原氧化石墨烯/BiFeO3 (rGO/BF)纳米复合材料的水热合成。通过催化剂用量(0.2 g/L、0.3 g/L和0.4 g/L)对合成的还原氧化石墨烯/BF纳米复合材料的光催化性能进行了系统研究。值得注意的是,0.3 g/L的剂量表现出最佳的活性,在可见光照射下,120分钟内对20 ppm甲基橙(MO)的降解率达到95.8%。基于拟一阶模型的动力学分析表明,rGO/BF光催化剂的反应速率常数(k)为0.0467 min−1,相关系数高(R2 = 0.9629)。采用孔扩散法对革兰氏阳性菌(枯草芽孢杆菌、金黄色葡萄球菌和蜡样芽孢杆菌)和革兰氏阴性菌(铜绿假单胞菌、霍乱弧菌和肺炎克雷伯菌)的杀菌效果进行了系统评估。值得注意的是,还原氧化石墨烯/BF纳米复合材料对金黄色葡萄球菌表现出更好的抗菌活性,其实质抑制区为15.5 mm。还原氧化石墨烯/BF纳米复合材料在可见光光催化和抗菌方面表现出了较好的性能,突出了其在多功能环境修复方面的潜力。
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引用次数: 0
Controllable dehydrogenation process of CH4 on twin T-graphene substrate 双t -石墨烯衬底上CH4的可控脱氢过程
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-01-15 DOI: 10.1016/j.diamond.2026.113332
Li-Yong Chen , Zheng-Hui Wang , Yan-Yan Liu , Su-Fang Wang , Yu-Ling Song
Efficient methane (CH4) decomposition is of fantastic importance for energy transition and environmental protection. In this paper, we explored the dehydrogenation reactions of CH4 on the clean twin T-graphene (TTG) and TM-doped TTG (TM@TTG, TM = Fe, Pd, and Pt), using the first-principles methods. It is found that the doping of TM facilitates the activation and dehydrogenation of CH4. On the TTG surface, both CH2 and CH dissociation steps probably are rate-limiting step, while the rate-controlling step may be the CH2 dissociation for the continuous dehydrogenation of CH4 molecule on the TM@TTG surfaces. Furthermore, the analysis of transition state reveals that, different from other system where consecutive dehydrogenation of CH4 is expected to be achieved, methyl has the potential to form C2H6 rather than undergoing further dissociation in the case of Pt@TTG substrate. The impact of temperature on the CH4 dehydrogenation on TM@TTG is also explored. The results suggest that the dehydrogenation of CH4 on TTG surface can be significantly modulated via a moderate doping of transition metals, and provide a new perspective to design the decomposition process of CH4 molecule.
高效分解甲烷对能源转型和环境保护具有重要意义。在本文中,我们利用第一性原理方法探索了CH4在清洁双t-石墨烯(TTG)和TM掺杂TTG (TM@TTG, TM = Fe, Pd,和Pt)上的脱氢反应。发现TM的掺杂有利于CH4的活化和脱氢。在TTG表面,CH2解离和CH解离都可能是限速步骤,而控制速率的步骤可能是CH2解离,使TM@TTG表面的CH4分子连续脱氢。此外,对过渡态的分析表明,不同于其他体系期望CH4连续脱氢,在Pt@TTG底物的情况下,甲基有可能形成C2H6而不是进一步解离。探讨了温度对TM@TTG上CH4脱氢反应的影响。结果表明,适度掺杂过渡金属可以显著调节TTG表面CH4的脱氢反应,为设计CH4分子分解过程提供了新的思路。
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引用次数: 0
High pressure synthesis and boron distribution of boron-doped nano-polycrystalline diamond 掺硼纳米多晶金刚石的高压合成及硼的分布
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-01-14 DOI: 10.1016/j.diamond.2026.113311
Fumihide Sakano , Kazuhiro Ikeda , Koji Kuramochi , Takuya Sasaki , Ken Niwa , Norimasa Nishiyama , Yutaka Kobayashi , Masashi Hasegawa
Boron-doped nano-polycrystalline diamond (B-NPD) was attempted to be synthesized at 15 GPa and 2000 °C using a Kawai-type high-pressure generation apparatus. Two B-NPD black and opaque samples of which grain sizes were 98 ± 8 and 119 ± 10 nm, were successfully prepared. Their boron concentrations inspected by secondary ion mass spectroscopy (SIMS) were 568 ± 11 and 3301 ± 34 ppm, respectively, while the values calculated by the substitutional lattice expansion model using their lattice parameters (0.356746(1) and 0.356763(1) nm) were lower, 530 ± 39 and 863 ± 39 ppm, respectively. Synchrotron X-ray diffraction measurements of these samples exhibited no peaks of the carbon materials and boron‑carbon compounds. STEM-EELS analysis revealed that boron atoms in the higher boron-concentration sample were clearly segregated at grain boundaries where the sp2 state of carbon is enhanced. Present and previous studies indicate that the distribution of boron in diamond materials is affected by the presence of defective areas, such as grain boundaries and twin boundaries.
采用kawai型高压生成装置,在15gpa和2000℃条件下合成硼掺杂纳米多晶金刚石(B-NPD)。成功制备了两种粒径分别为98±8 nm和119±10 nm的B-NPD黑色和不透明样品。二次离子质谱(SIMS)测定的硼浓度分别为568±11 ppm和3301±34 ppm,而采用取代晶格展开模型(0.356746(1)nm和0.356763(1)nm)计算的硼浓度则较低,分别为530±39 ppm和863±39 ppm。这些样品的同步x射线衍射测量没有发现碳材料和硼碳化合物的峰。STEM-EELS分析表明,高硼浓度样品中的硼原子在晶界处明显分离,碳的sp2态增强。目前和以往的研究表明,硼在金刚石材料中的分布受到晶界和孪晶界等缺陷区存在的影响。
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引用次数: 0
Optical and electrical properties of CVD boron-doped diamond following HPHT annealing HPHT退火后CVD掺硼金刚石的光学和电学性质
IF 5.1 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2026-01-14 DOI: 10.1016/j.diamond.2026.113327
Jiaqi Xia , Liangxue Gu , Shuang Ye , Shulong Zhang , Zhonghao Ye , Man Ye , Chengchun Zhao , Shulin Gu , Yin Hang
Boron-doped diamond (BDD) is a promising material for semiconductor applications due to diamond's outstanding properties. Nonetheless, achieving efficient p-type conductivity remains challenging as relatively deep acceptor level at low boron doping concentrations yields low activation efficiency, limiting room temperature carrier concentration, while heavy doping reduces mobility through impurity scattering and defect formation. This study aims to address these issues via high-pressure and high-temperature (HPHT) annealing. Chemical vapor deposition (CVD)-grown BDD samples were annealed at 5 GPa across 1100 to 2000 °C to systematically investigate electrical and optical properties evolution. The results demonstrate that annealing at suitable temperature increases carrier concentration by more than an order of magnitude and electrical conductivity by over fourfold, with the effect strongly dependent on annealing temperature and doping concentration. Comprehensive spectroscopic analyses reveal several factors contributing to the annealing temperature-dependent behavior of carriers, including lattice strain relaxation, modifications in boron-bound excitons, and nitrogen-vacancy center transformation. Additionally, the optimal annealing temperature varies significantly with doping concentration. These findings indicate that HPHT processing is a viable approach to overcome doping constraints in BDD, advancing its implementation in electronic devices.
掺硼金刚石(BDD)由于其优异的性能,在半导体领域具有广阔的应用前景。然而,实现高效的p型电导率仍然具有挑战性,因为在低硼掺杂浓度下,相对较深的受体水平导致激活效率低,限制了室温载流子浓度,而重掺杂通过杂质散射和缺陷形成降低了迁移率。本研究旨在通过高压高温(HPHT)退火来解决这些问题。化学气相沉积(CVD)生长的BDD样品在1100至2000°C的5 GPa下退火,系统地研究了电学和光学性质的演变。结果表明,在合适的温度下退火,载流子浓度提高了一个数量级以上,电导率提高了四倍以上,其效果强烈依赖于退火温度和掺杂浓度。综合光谱分析揭示了影响载流子退火温度依赖行为的几个因素,包括晶格应变松弛、硼束缚激子的修饰和氮空位中心转变。此外,最佳退火温度随掺杂浓度变化显著。这些发现表明,HPHT处理是克服BDD中掺杂限制的可行方法,可以促进其在电子器件中的实现。
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引用次数: 0
期刊
Diamond and Related Materials
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