Diamond and Related Materials最新文献

{"title":"Unveiling n-type surface charge transfer doping of diamond via MgO nanocubes: A first-principles study","authors":"Xueting Wang ,&nbsp;Defeng Liu ,&nbsp;Xiaowei Wang ,&nbsp;Yuanliang Li ,&nbsp;Guixuan Wu ,&nbsp;Shulin Luo","doi":"10.1016/j.diamond.2025.112419","DOIUrl":"10.1016/j.diamond.2025.112419","url":null,"abstract":"<div><div>The application of ultra-wide bandgap diamond in semiconductor technologies relies on precise control of carrier type and density. However, conventional <em>n</em>-type bulk doping remains difficult due to diamond's strong covalent bonds and deep donor levels. Surface charge transfer doping (SCTD) offers a promising alternative by exploiting energy-level differences between dopants and the semiconductor, avoiding activation energy. While organic molecules and alkali metals as surface dopants can achieve <em>n</em>-type doping on oxygen-terminated diamond (100) surfaces, their thermal and chemical instabilities hinder long-term device stability. In this work, we use first-principles calculations to investigate <em>n</em>-type SCTD on oxygen-terminated diamond (100) surfaces using MgO nanocubes as stable electron donors. MgO enables efficient electron transfer, shifting the Fermi level—the highest occupied electronic state at 0 K—into the conduction band, thereby confirming successful <em>n</em>-type doping. The maximum areal electron density reaches 1.98 × 10¹³ cm⁻²—comparable to organic doping (~2.60 × 10¹³ cm⁻²) and about one order lower than alkali metal doping (~2.50 × 10¹⁴ cm⁻²)—with significantly improved stability. The doping performance is tunable via the thickness of the diamond and MgO layers, as well as nanocube size and density. Additionally, MgO enhances the infrared response of diamond by introducing a 0.4 eV absorption peak with an absorption coefficient of 7 × 10³ cm⁻¹. These results offer atomic-level insights into stable, tunable <em>n</em>-type doping and point to MgO-modified diamond surfaces as promising candidates for mid-infrared optoelectronic applications.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112419"},"PeriodicalIF":4.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143928036","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":"Structure formation in concentrated aqueous dispersions of detonation nanodiamond: experiment and theory","authors":"Anna V. Volkova,&nbsp;Daniil A. Savelev,&nbsp;Vitalii A. Vodolazhskii,&nbsp;Evgenia V. Golikova,&nbsp;Lyudmila E. Ermakova","doi":"10.1016/j.diamond.2025.112418","DOIUrl":"10.1016/j.diamond.2025.112418","url":null,"abstract":"<div><div>Structure formation in concentrated polydisperse aqueous dispersions of detonation nanodiamond (DND) depending on solid content (0.2–2 wt%) and electrolyte concentration (10⁻⁴ М – 10⁻¹ M NaCl) was studied experimentally and theoretically. Viscosity was determined by the rotational viscometry along with the study of sedimentation type. The energy of pair interaction of one-sized and different-sized primary aggregates of nanoparticles is calculated within the framework of the classical and extended DLVO theory on the assumption of a constant surface charge using the effective Hamaker constant, which takes into account the porous structure of the aggregate. The calculation results were used to plot the total potential interaction curves of the three particles. It has been shown that calculations taking into account collective interactions within the framework of the extended DLVO theory may well be used to refine experimental data and predict the stability of concentrated DND dispersions.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112418"},"PeriodicalIF":4.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916181","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":"Strategic design of nitrogen and sulphur co-doped biocarbon/nickel hexacyanoferrate nanocomposite for efficient removal of ciprofloxacin and amoxicillin antibiotics from water","authors":"V. Kannadhasan ,&nbsp;K. Mahendran ,&nbsp;R. Indhu ,&nbsp;G. Manikannan","doi":"10.1016/j.diamond.2025.112420","DOIUrl":"10.1016/j.diamond.2025.112420","url":null,"abstract":"<div><div>The persistence, toxicity and prevalence of pharmaceutical pollutants in aquatic systems, such as Amoxicillin (AMX) and Ciprofloxacin (CIP), pose substantial environmental and health concerns. This report introduces a novel NiHCF/NSBC composite that was synthesized by combining nickel hexacyanoferrate (NiHCF) with nitrogen and sulphur co-doped biocarbon (NSBC) derived from coconut shells. The hybrid composite takes advantage of the high surface area, enhanced electronic conductivity and active sites introduced by NSBC to overcome the constraints of bare NiHCF, including the rapid recombination of charges and the restricted absorption of visible light. The composite's structural integrity, chemical interaction and synergistic properties were verified through a comprehensive characterization such as X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR) and Scanning Electron Microscopy (SEM) techniques. The NiHCF/NSBC composite demonstrated an increased surface area (176 m²/g) and diminished photoluminescence intensity in comparison to pristine NiHCF and NSBC, indicating higher pollutant adsorption and lower charge recombination. The photocatalytic degradation results demonstrated that NiHCF and NSBC were substantially outperformed, which demonstrated remarkable degradation efficiencies of 94 % for CIP and 92 % for AMX under visible light within 90 min. The mechanism of enhanced photocatalytic activity of NiHCF/NSBC proposed through EIS, photocurrent, scavenger and PL studies. Excellent stability was verified through reusability experiments across numerous cycles. These results confirm the NiHCF/NSBC composite as a sustainable and efficient photocatalyst for the remediation of pharmaceutical pollutants, offering an environmentally favorable solution for water purification under visible light irradiation.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112420"},"PeriodicalIF":4.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143923413","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":"Resolving Lonsdaleite's decade-long controversy: Atomistic insights into a metastable diamond polymorph","authors":"Jonathan Joseph Bean ,&nbsp;Nirmal Kumar Katiyar ,&nbsp;Robert Mark Forrest ,&nbsp;Xiaowang Zhou ,&nbsp;Saurav Goel","doi":"10.1016/j.diamond.2025.112405","DOIUrl":"10.1016/j.diamond.2025.112405","url":null,"abstract":"<div><div>Lonsdaleite, a theoretically proposed hexagonal diamond polymorph, has remained at the center of a five-decade scientific controversy since its 1967 identification. While some studies claim it exhibits superior hardness through compression-induced structural changes, others contend it is merely a stacking-faulted cubic diamond. Meteoritic samples and synthetic preparations have yielded conflicting evidence, with even advanced characterisation techniques like XRD and TEM failing to provide definitive proof. In this work, we employ first-principles density functional theory (DFT) and molecular dynamics (MD) simulations to generate unambiguous theoretical fingerprints through XRD, Raman, and SAED patterns that distinguish true Lonsdaleite from cubic diamond and its defective variants. Our atomistic approach quantifies the thermodynamic metastability of Lonsdaleite under realistic pressure-temperature conditions, reveals distinct spectral signatures through simulated Raman and resolves the structural ambiguity through generalised stacking fault energy analysis. By establishing clear criteria for definitive identification, this study provides long-awaited clarity to the Lonsdaleite debate while offering a robust computational framework for characterising metastable carbon phases in meteoritic, synthetic and industrial materials.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"157 ","pages":"Article 112405"},"PeriodicalIF":4.3,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144123564","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":"α-Fe2O3/rGO composites for non-enzymatic electrochemical sensing of UA and Trp and mechanism study through DFT calculation","authors":"Jun Liu,&nbsp;Jiayin Li,&nbsp;Yao Chen,&nbsp;Xin Tan,&nbsp;Chun Yang","doi":"10.1016/j.diamond.2025.112413","DOIUrl":"10.1016/j.diamond.2025.112413","url":null,"abstract":"<div><div>The abnormal contain of uric acid (UA) and tryptophan (Trp) in body could cause the liver and kidney function decline. The simultaneous detection of UA and Trp for early prevention of these liver and kidney diseases is significant. This study had developed the α-Fe₂O₃/reduced graphene oxide (rGO) for modification of the glassy carbon electrode (GCE) in (UA) and (Trp) detection. α-Fe₂O₃/rGO composite was synthesized <em>through</em> hydrothermal-calcination method. The optimal electrochemical conditions, including the pH values, scan rate, and accumulative parameters, were discussed for demonstrating the feasibility. Moreover, this α-Fe₂O₃/rGO/GCE presented wide linear relationships (0.01–900 μM) and low detection limits (UA (3.56 nM) and Trp (16.4 nM)). The DFT theoretical calculation revealed that the enhanced performance is mainly due to the high electrocatalytic property of α-Fe₂O₃ nanotube, high conductivity of rGO, and interaction effect between target biomolecule and modified electrode surface. Finally, the approving results were also acquired in detection of practical UA and Trp samples by α-Fe₂O₃/rGO modified GCE. The results indicate that α-Fe₂O₃/rGO could provide a new and highly advantageous approach for detection of UA and Trp.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112413"},"PeriodicalIF":4.3,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143907814","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":"Tuning the surface energy of fluorinated diamond-like carbon coatings via plasma immersion ion implantation plasma-enhanced chemical vapor deposition with 1,1,1,2-tetrafluoroethane","authors":"Yuhan Tong ,&nbsp;Maryam Zahedian ,&nbsp;Aiping Zeng ,&nbsp;Ricardo Vidrio ,&nbsp;Mike Efremov ,&nbsp;Shenwei Yin ,&nbsp;Hongyan Mei ,&nbsp;Patrick J. Heaney ,&nbsp;Jennifer T. Choy","doi":"10.1016/j.diamond.2025.112365","DOIUrl":"10.1016/j.diamond.2025.112365","url":null,"abstract":"<div><div>We demonstrate an environmentally friendly and scalable method to create fluorine-doped diamond-like carbon (F-DLC) coatings using plasma immersion ion implantation plasma-enhanced chemical vapor deposition (PIII-PECVD) with 1,1,1,2-tetrafluoroethane. F-DLC films tend to have low wettability and good mechanical flexibility, which make them suitable for applications in biomedical devices and antibiofouling surfaces. We report on the effects of fluorine incorporation on the surface chemistry, surface energy, and morphology of these coatings, showing that our method is effective in increasing the fluorine content in the F-DLC up to 40 %. We show that the addition of fluorine leads to a decrease in surface energy, which is consistent with a reduction in surface wettability.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112365"},"PeriodicalIF":4.3,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143946963","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 3–8 decoder of terahertz metamaterials and its sensing application","authors":"Aijun Zhu ,&nbsp;Wenrui Wei ,&nbsp;Weigang Hou ,&nbsp;Lei Cheng ,&nbsp;Cong Hu","doi":"10.1016/j.diamond.2025.112411","DOIUrl":"10.1016/j.diamond.2025.112411","url":null,"abstract":"<div><div>A 3–8 decoder based on terahertz metamaterial was proposed for the first time, which can achieve both 3–8 decoding function and dual band selectable 2–4 decoding function. The function of this device mainly relies on VO2 acting as a conductor or insulator. The finite integration in time domain (FITD) method was used to simulate and optimize the performance of the metamaterial absorber (MMA), and its working mechanism was analyzed through electric field distribution diagram and equivalent circuit model (ECM). When the device is used as a 3–8 decoder, the maximum modulation depth (MD) is 99.60 %, the minimum extinction ratio (ER) is 17.7 dB, the maximum insertion loss (IL) is 0.76 dB, and it has the property of being insensitive to the incident angle, with stable decoding ability. In addition, the device can also be used as a sensor with a refractive index sensitivity (S) of 0.55 THz/RIU, a quality factor (Q) of 24.714, and a FOM of 3.93<span><math><msup><mi>RIU</mi><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span>, demonstrating excellent sensing capabilities. This work provides new ideas for improving the decoding capability of terahertz devices and designing dynamic devices.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112411"},"PeriodicalIF":4.3,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143912932","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":"Enhanced electrochemical performance of Bi doped Ni3Se2/rGO composite synthesized via hydrothermal method","authors":"Abdul Waheed ,&nbsp;Soumaya Gouadria ,&nbsp;Abdullah Ghulam Al-Sehemi ,&nbsp;Abhinav Kumar","doi":"10.1016/j.diamond.2025.112410","DOIUrl":"10.1016/j.diamond.2025.112410","url":null,"abstract":"<div><div>The compositing and doping can significantly improve the electrochemical performance of metal selenides by reducing their nanoparticles agglomeration, improved the cycling stability using various dopants and carbon base materials and it is a currently a hot topic in research community. We have successfully fabricated a unique heterostructure with Bi-doped Ni₃Se₂ nanoparticles and rGO using a hydrothermal process. The Bi-doped Ni₃Se₂/rGO was characterized using various electrochemical and physical techniques. Bi-doped Ni₃Se₂/rGO were evaluated by different analytical techniques. The results showed outstanding performance in energy storage applications, demonstrating the composite materials potential to improve supercapacitor efficiency. Brunner Emmett Teller determined surface area of fabricated electrode materials, which found to be that composite has greater surfacee area. The Bi doped Ni₃Se₂/rGO exhibits exceptional capacitance C_s of 1194 F g⁻¹, which calculated using GCD that showed stable behavior after the 5000^th cycle at 1.0 A g⁻¹. Charge transfer resistance was determined from Nyquist plot which found to be 0.02 Ω. A symmetric supercapacitor featuring Bi-doped Ni₃Se₂/rGO electrodes achieves an impressive energy density (E_d) of 15 Wh kg⁻¹ and power density (P_d) of 1140 W kg⁻¹. Furthermore, composite shows the 336 F g⁻¹ specific capacitance at a current density (j) of 1 A g⁻¹. The improvement in all above parameters suggested that Bi doped Ni₃Se₂/rGO has potential to utilize as an electrode for upcoming energy storage technologies.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112410"},"PeriodicalIF":4.3,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916279","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":"Improvement of adhesion and anti-corrosion properties of Ti-doped diamond-like carbon coatings on medium carbon steel","authors":"Yubin Guo ,&nbsp;Jizhong Yang ,&nbsp;Jiaqi Lu ,&nbsp;Ming Huang ,&nbsp;Nan Huang ,&nbsp;Lusheng Liu ,&nbsp;Xin Jiang ,&nbsp;Bing Yang","doi":"10.1016/j.diamond.2025.112406","DOIUrl":"10.1016/j.diamond.2025.112406","url":null,"abstract":"<div><div>Diamond-like carbon (DLC) films doped with varying Ti concentrations were successfully deposited on 60Si₂Mn steel using magnetron sputtering in order to improve the corrosion performance of 60Si₂Mn steel. The influence of Ti doping on microstructural evolution, film adhesion and corrosion resistance were systematically studied. As Ti target power increases from 0 to 20 W, the Ti dopant content gradually rises to 9.04 at.%. Ti incorporation decreases sp³ carbon from 45.71 % to 22.60 %, while sp² carbon increases from 52.19 % to 59.34 %. The hardness of the Ti doped DLC films exceed that of the uncoated substrate with a peak value of 22.19 GPa obtained at Ti target power of 10 W. This sample also exhibits the lowest residual compressive stress and the best film's adhesion strength. Ab initio molecular dynamics simulations reveal that the distortion of C<img>C bonds and angles induced by Ti contribute to the reduced stress in the films. The 10 W doped sample exhibit the best anti-corrosion performance with the lowest corrosion current density (0.128 μA/cm²). These results demonstrate that Ti incorporation in DLC films can efficiently improve the corrosion performance of 60Si₂Mn steel.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112406"},"PeriodicalIF":4.3,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916280","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":"Study on the process parameters of UV photocatalytic chemical mechanical polishing for single-crystal AlN","authors":"Huilong Li ,&nbsp;Jiahui Yang ,&nbsp;Jiabin Lu ,&nbsp;Jiajian Sun ,&nbsp;Da Hu ,&nbsp;Qiusheng Yan","doi":"10.1016/j.diamond.2025.112407","DOIUrl":"10.1016/j.diamond.2025.112407","url":null,"abstract":"<div><div>Single-crystal aluminum nitride (AlN) has a wide band gap and high thermal conductivity, and is a promising 3th generation semiconductor material. However, single-crystal AlN is characterised by its hardness, good wear resistance and chemical inertness, which collectively present significant challenges in achieving both high efficiency and high-quality polishing. In this paper, the focus is on the processing of single-crystal AlN using chemical mechanical polishing based on UV photocatalysis. The study explores the influence of reaction parameters, including H₂O₂ concentration, TiO₂ concentration, and light intensity, on the concentration of <img>OH. Furthermore, the influence of chemical reaction parameters (H₂O₂ concentration, TiO₂ concentration, light intensity, lighting methods) and mechanical process parameters (abrasive grain size, abrasive concentration, polishing pressure, polishing pad speed) on the processing of single-crystal AlN and the polishing mechanism were studied through single-factor polishing experiments. The findings indicate a robust correlation between the material removal rate (MRR) of single-crystal AlN and the concentration of <img>OH, with both exhibiting an initial increase followed by a subsequent decrease in response to increasing H₂O₂ concentration, TiO₂ concentration, and light intensity. The material removal rate of single-crystal AlN is increased by increasing the abrasive grain size, abrasive concentration, polishing pressure and polishing pad speed. As the H₂O₂ concentration, TiO₂ concentration, light intensity, abrasive grain size, abrasive concentration, polishing pressure and polishing pad speed increased, the surface roughness of single-crystal AlN first decreased and then increased. In the UV photocatalytic reaction, AlN reacts with <img>OH or H₂O to form a corrosion layer (Al₂O₃, AlOOH and Al(OH)₃), which is then removed by the mechanical action of the abrasive, exposing a new single-crystal AlN surface on which corrosion and mechanical removal continue to occur. This paper provides more evidence for the application of UV photocatalytic technology in the field of single-crystal AlN polishing.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112407"},"PeriodicalIF":4.3,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143907813","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}