Diamond and Related Materials最新文献

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Carbon-wrapped iron nitride nanoparticles: A cost-effective strategy for bifunctional electrocatalysts with enhanced HER and OER performance 碳包覆氮化铁纳米颗粒:具有增强HER和OER性能的双功能电催化剂的成本效益策略
IF 4.3 3区 材料科学
Diamond and Related Materials Pub Date : 2025-05-07 DOI: 10.1016/j.diamond.2025.112414
Kumaresan Lakshmanan , Vasanthi Palanisamy , Thammasak Rojviroon , Orawan Rojviroon , Sanya Sirivithayapakorn
{"title":"Carbon-wrapped iron nitride nanoparticles: A cost-effective strategy for bifunctional electrocatalysts with enhanced HER and OER performance","authors":"Kumaresan Lakshmanan ,&nbsp;Vasanthi Palanisamy ,&nbsp;Thammasak Rojviroon ,&nbsp;Orawan Rojviroon ,&nbsp;Sanya Sirivithayapakorn","doi":"10.1016/j.diamond.2025.112414","DOIUrl":"10.1016/j.diamond.2025.112414","url":null,"abstract":"<div><div>Electrochemical water splitting is a promising method for clean hydrogen production, requiring durable, efficient, and cost-effective electrocatalysts to replace noble metals. Carbon plays a critical role in enhancing the electrochemical activity and stability of catalysts. In this study, a cost-effective method for synthesizing crystalline carbon-wrapped iron nitride (CW@Fe<sub>2</sub>N) nanoparticles (NPs) is presented, showcasing their exceptional bifunctional electrocatalytic performance for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and overall water splitting. The CW@Fe<sub>2</sub>N NPs were thoroughly characterized to analyze their morphology, crystal structure, chemical composition, and surface properties, revealing a robust core-shell structure with carbon encapsulation. This crystalline carbon layer not only enhances catalytic activity but also improves the stability of the nanoparticles under electrochemical conditions. To benchmark performance, carbon-wrapped iron nanoparticles (CW@Fe NPs) were also synthesized and tested. Electrochemical analysis in alkaline media demonstrated the superior bifunctional electrocatalytic activity of CW@Fe<sub>2</sub>N NPs, achieving current densities of 10 mA cm<sup>−2</sup> at overpotentials of 205 mV for OER and 94 mV for HER. The outstanding performance is attributed to the synergistic interaction between iron nitride and the crystalline carbon shell, which facilitates charge transfer and provides structural integrity. Additionally, the CW@Fe<sub>2</sub>N catalyst exhibited excellent energy efficiency in a two-electrode system, maintaining a current density of 10 mA cm<sup>−2</sup> with a cell voltage of just 1.567 V. These findings highlight the potential of CW@Fe<sub>2</sub>N NPs as scalable and highly effective electrocatalysts for sustainable hydrogen production through water splitting.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112414"},"PeriodicalIF":4.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143923409","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
Infrared radiation and thermal transfer performance of ultra-black CNT/diamond composite 超黑碳纳米管/金刚石复合材料的红外辐射和传热性能
IF 4.3 3区 材料科学
Diamond and Related Materials Pub Date : 2025-05-07 DOI: 10.1016/j.diamond.2025.112415
Xurui Feng , Zhiliang Yang , Xiaolu Yuan , Peng Liu , Jing Guo , Chao Qiu , Liangxian Chen , Jinlong Liu , Shuangxi Song , Chengming Li , Junjun Wei
{"title":"Infrared radiation and thermal transfer performance of ultra-black CNT/diamond composite","authors":"Xurui Feng ,&nbsp;Zhiliang Yang ,&nbsp;Xiaolu Yuan ,&nbsp;Peng Liu ,&nbsp;Jing Guo ,&nbsp;Chao Qiu ,&nbsp;Liangxian Chen ,&nbsp;Jinlong Liu ,&nbsp;Shuangxi Song ,&nbsp;Chengming Li ,&nbsp;Junjun Wei","doi":"10.1016/j.diamond.2025.112415","DOIUrl":"10.1016/j.diamond.2025.112415","url":null,"abstract":"<div><div>This study fabricated vertical carbon nanotube (CNT)/diamond ultra-black composites via microwave plasma chemical vapor deposition. Quantitative nanoscratch tests revealed significantly enhanced interfacial adhesion between CNTs and the diamond substrate (200 μN) compared to the Si substrate (60 μN), demonstrating a 233 % adhesion improvement. In contrast to CNT/diamond without a pretreatment process (CNT/diamond (O), 200 μN), notably, Fe/diamond substrate subjected to pretreatment achieved a further 100 % adhesion of CNTs enhancement (400 μN), attributed to the formation of high-strength bonds at the Fe/diamond interface. Fourier-transform infrared spectroscopy characterization revealed exceptional radiative properties, with the composite achieving an average emissivity of 0.96 across the infrared spectrum (6–16 μm) and a 167 % improvement in emissivity stability relative to CNT/diamond (O). High-resolution infrared thermographic analysis confirmed superior thermal response characteristics of the CNT/diamond composite relative to CNT/Si. Therefore, the CNT/diamond composite demonstrates promising potential for precision radiation-calibration blackbody applications.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112415"},"PeriodicalIF":4.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143931929","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
Engineered GO with magnetic Iron oxide nanoparticles promotes osteogenic differentiation on 3D printed PCL scaffold 磁性氧化铁纳米颗粒工程氧化石墨烯促进3D打印PCL支架的成骨分化
IF 4.3 3区 材料科学
Diamond and Related Materials Pub Date : 2025-05-07 DOI: 10.1016/j.diamond.2025.112424
Pegah Mansoorian, Mozhde Ajorloo, Najmeh Najmoddin
{"title":"Engineered GO with magnetic Iron oxide nanoparticles promotes osteogenic differentiation on 3D printed PCL scaffold","authors":"Pegah Mansoorian,&nbsp;Mozhde Ajorloo,&nbsp;Najmeh Najmoddin","doi":"10.1016/j.diamond.2025.112424","DOIUrl":"10.1016/j.diamond.2025.112424","url":null,"abstract":"<div><div>Since bone loss can pose serious health risks, developing novel therapeutic platforms that can efficiently evoke bone rehabilitation, underscores urgent need. In present research, a strategy is introduced to create a magnetic micro-milieu in poly ɛ-caprolactone (PCL) scaffolds fabricated by extrusion-based 3D printing method using superparamagnetic iron oxide nanoparticles (SPIONs) decorated on graphene oxide (GO) sheets (GO@SPIONs) to enhance bone repair. Field emission scanning electron microscopic images revealed the construction of 3D porous structure with aligned strands, desirable interconnectivity and good fidelity. Incorporation of 10 and 15 wt% GO@SPIONs improved the wettability up to 70.5 ± 3.4° and 60.4 ± 4.9°, respectively. Moreover, Young's modulus of 3D printed PCL scaffold reached the values of 42 ± 2 and 57 ± 2 MPa, respectively, by inclusion of 10 and 15 wt% GO@SPIONs. Although no sign of cytotoxicity was observed in MTT assay by inclusion of GO@SPIONs, 10 wt% GO@SPIONs had a higher performance in terms of cell viability and cell attachment. Such group also demonstrated better ALP activity and Alizarin red staining than other groups in line with previous results. The great potency of PCL scaffold containing 10 wt% GO@SPIONs for bone differentiation was proved by RT-PCR via high expression level of Runx2, COL1A1 and OCN which further confirmed by immunohistochemistry. These positive findings reveal that the creation of magnetic micro-milieu in tissue-engineered scaffolds is a working countermeasure to accelerate bone repair.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112424"},"PeriodicalIF":4.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143923411","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
Exploring barley bran as a precursor for carbon quantum dots with enhanced fluorescence characteristics 探索大麦麸皮作为碳量子点的前体具有增强的荧光特性
IF 4.3 3区 材料科学
Diamond and Related Materials Pub Date : 2025-05-06 DOI: 10.1016/j.diamond.2025.112421
Anna Piasek , Michał Zielina , Marcin Banach , Jolanta Pulit-Prociak
{"title":"Exploring barley bran as a precursor for carbon quantum dots with enhanced fluorescence characteristics","authors":"Anna Piasek ,&nbsp;Michał Zielina ,&nbsp;Marcin Banach ,&nbsp;Jolanta Pulit-Prociak","doi":"10.1016/j.diamond.2025.112421","DOIUrl":"10.1016/j.diamond.2025.112421","url":null,"abstract":"<div><div>The research described in this article deals with the synthesis of carbon quantum dots (CQDs) from barley bran including husk (BB) enriched with nitrogen by a hydrothermal-microwave method. Barley bran, as a raw material, is distinguished by its high carbon content and the presence of chemical compounds such as polysaccharides, proteins, fatty acids, and triglycerides, which contribute to the significant presence of oxygen atoms. The BB material was characterized using techniques such as Roentgen diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), dry weight analysis, scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS), and CHNOS elemental analysis. The results of XRD and FT-IR analysis were compared with those for dried CQDs, which show significant structural changes. Transmission Electron Microscopy (TEM) was used to analyze the size and structure of CQDs. The particles with a crystalline structure were characterized by an average size of 5.5 nm and a distance between crystal planes in the range of 0.19–0.28 nm. The optical properties of the CQDs particles were checked by UV–Vis spectroscopy analysis and their ability to emit light by spectrofluorimetry. The suspensions were characterized by absorption at 280 nm and fluorescence at 380 nm excitation with an emission peak base of about 200 nm and a peak maximum of 464 nm. The analysis showed that process parameters such as temperature, synthesis time, and filtrate volume significantly affect the properties of the obtained CQDs. The best fluorescence results were obtained for samples synthesized at 235 °C or 250 °C with larger filtrate volumes. Analysis of the optimization of the synthesis process showed that the best optical properties were obtained for samples prepared at 250 °C for 1 h from a filtrate volume of 40 mL. The study also underscores the need to further improve product purification procedures and reduce particle aggregation in aqueous solutions, which is an important element in improving the stability and performance of CQDs.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112421"},"PeriodicalIF":4.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143923412","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
Evaluation of noble metal decorated GNP reinforced Cu composite heat sinks for thermal performance of LED light 贵金属装饰GNP增强Cu复合散热器对LED灯热性能的评价
IF 4.3 3区 材料科学
Diamond and Related Materials Pub Date : 2025-05-06 DOI: 10.1016/j.diamond.2025.112417
Saad Ali , Faiz Ahmad , Puteri Sri Melor Megat Yusoff , Norhamidi Muhamad , Russel J. Varley , Patrick J. Masset , Waseem Haider , Chowdhury Ahmed Shahed
{"title":"Evaluation of noble metal decorated GNP reinforced Cu composite heat sinks for thermal performance of LED light","authors":"Saad Ali ,&nbsp;Faiz Ahmad ,&nbsp;Puteri Sri Melor Megat Yusoff ,&nbsp;Norhamidi Muhamad ,&nbsp;Russel J. Varley ,&nbsp;Patrick J. Masset ,&nbsp;Waseem Haider ,&nbsp;Chowdhury Ahmed Shahed","doi":"10.1016/j.diamond.2025.112417","DOIUrl":"10.1016/j.diamond.2025.112417","url":null,"abstract":"<div><div>Thermal management is critical for the durability of smart electronic devices, as high current densities generate excessive heat that fully dense heat sinks cannot effectively dissipate. Conductive and convective heat transfer methods, such as combining thermally conductive metals with cooling fans, are challenging due to compact device designs. In this study, we investigate the thermal properties of noble metal-decorated graphene nanoplatelet-reinforced Cu composites (Au-GNP/Cu, Ag-GNP/Cu, and Ag-N-GNP/Cu) with optimized porosity (i.e., lowest and highest), building on our previous work on their physical and mechanical properties. The thermal performance of these composites as heat sinks for LED lights was compared to undecorated GNP/Cu, sintered Cu, and commercial Cu. Decorated GNP/Cu composites exhibited enhanced thermal conductivity over undecorated GNP/Cu and sintered Cu, though values remained below commercial Cu due to porosity. High-porosity samples demonstrated superior cooling, with 0.1-Ag-GNP/Cu (22.94 % porosity) reducing LED operating temperatures by 15.83 % compared to sintered Cu. Sintered Cu (18.64 % porosity) also outperformed commercial Cu (0.11 % porosity), lowering LED temperatures by 8.57 %, highlighting the role of porosity in convective heat transfer. LED Luminous efficiency remained above 90 % for all composites, peaking at 97.21 % for 0.1-Ag-GNP/Cu. The study concludes that Ag-GNP/Cu composites effectively enhance thermal management through combined conductive and convective mechanisms, offering a promising solution for compact electronic devices.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"156 ","pages":"Article 112417"},"PeriodicalIF":4.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143923416","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
Unveiling n-type surface charge transfer doping of diamond via MgO nanocubes: A first-principles study 利用MgO纳米立方揭示金刚石的n型表面电荷转移掺杂:第一性原理研究
IF 4.3 3区 材料科学
Diamond and Related Materials Pub Date : 2025-05-06 DOI: 10.1016/j.diamond.2025.112419
Xueting Wang , Defeng Liu , Xiaowei Wang , Yuanliang Li , Guixuan Wu , Shulin Luo
{"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 × 10<sup>13</sup> cm<sup>−2</sup>—comparable to organic doping (~2.60 × 10<sup>13</sup> cm<sup>−2</sup>) and about one order lower than alkali metal doping (~2.50 × 10<sup>14</sup> cm<sup>−2</sup>)—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 × 10<sup>3</sup> cm<sup>−1</sup>. 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}
引用次数: 0
Structure formation in concentrated aqueous dispersions of detonation nanodiamond: experiment and theory 爆轰纳米金刚石水分散体的结构形成:实验与理论
IF 4.3 3区 材料科学
Diamond and Related Materials Pub Date : 2025-05-06 DOI: 10.1016/j.diamond.2025.112418
Anna V. Volkova, Daniil A. Savelev, Vitalii A. Vodolazhskii, Evgenia V. Golikova, Lyudmila E. Ermakova
{"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<sup>−4</sup> М – 10<sup>−1</sup> 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}
引用次数: 0
Strategic design of nitrogen and sulphur co-doped biocarbon/nickel hexacyanoferrate nanocomposite for efficient removal of ciprofloxacin and amoxicillin antibiotics from water 氮硫共掺杂生物碳/六氰高铁酸镍纳米复合材料对水中环丙沙星和阿莫西林抗生素的高效去除策略设计
IF 4.3 3区 材料科学
Diamond and Related Materials Pub Date : 2025-05-06 DOI: 10.1016/j.diamond.2025.112420
V. Kannadhasan , K. Mahendran , R. Indhu , G. Manikannan
{"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 m<sup>2</sup>/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}
引用次数: 0
Resolving Lonsdaleite's decade-long controversy: Atomistic insights into a metastable diamond polymorph 解决Lonsdaleite长达十年之久的争议:亚稳态金刚石多晶的原子洞察
IF 4.3 3区 材料科学
Diamond and Related Materials Pub Date : 2025-05-05 DOI: 10.1016/j.diamond.2025.112405
Jonathan Joseph Bean , Nirmal Kumar Katiyar , Robert Mark Forrest , Xiaowang Zhou , Saurav Goel
{"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}
引用次数: 0
α-Fe2O3/rGO composites for non-enzymatic electrochemical sensing of UA and Trp and mechanism study through DFT calculation α-Fe2O3/rGO复合材料对UA和色氨酸的非酶电化学传感及DFT计算机理研究
IF 4.3 3区 材料科学
Diamond and Related Materials Pub Date : 2025-05-05 DOI: 10.1016/j.diamond.2025.112413
Jun Liu, Jiayin Li, Yao Chen, Xin Tan, Chun Yang
{"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-Fe<sub>2</sub>O<sub>3</sub>/reduced graphene oxide (rGO) for modification of the glassy carbon electrode (GCE) in (UA) and (Trp) detection. α-Fe<sub>2</sub>O<sub>3</sub>/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-Fe<sub>2</sub>O<sub>3</sub>/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-Fe<sub>2</sub>O<sub>3</sub> 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-Fe<sub>2</sub>O<sub>3</sub>/rGO modified GCE. The results indicate that α-Fe<sub>2</sub>O<sub>3</sub>/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}
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