Diamond and Related Materials最新文献

{"title":"Upcycling waste plastics into rGO-Yb@NiFe₂O₄ hybrid electrodes for high-performance supercapacitors and hydrogen evolution","authors":"S.K. Vinoth ,&nbsp;Abdulrahman G. Alhamzani ,&nbsp;Mortaga M. Abou-Krisha ,&nbsp;Ehab A. Abdelrahman ,&nbsp;Saad A. Aljlil ,&nbsp;Arun Varghese ,&nbsp;M.S. Raghu ,&nbsp;K. Yogesh Kumar","doi":"10.1016/j.diamond.2025.112898","DOIUrl":"10.1016/j.diamond.2025.112898","url":null,"abstract":"<div><div>It is essential to reduce and upcycle the waste for energy conversion and storage for sustainability. Plastic milk pouches have been converted into a value-added carbon source for the facile synthesis of reduced graphene oxide (rGO). The obtained rGO was anchored with Yb-doped spinel NiFe₂O₄ and Yb@NiFe₂O₄/rGO nanocomposite was obtained. The morphological and structural characterization shows the uniform dispersion of spherical Yb@NiFe₂O₄ over rGO sheets and mixed valence states of metals with oxygen defects. The synthesized materials were used as electrode materials for supercapacitors and the calculated specific capacitances are 151, 413, and 926 F/g at a scan rate of 2 mV/s, respectively, for Yb@NiFe₂O, rGO and Yb@NiFe₂O₄/rGO. The Yb@NiFe₂O₄/rGO electrode showed a maximum power density of 109.3 W/kg at an energy density of 750 Wh/Kg. Asymmetric supercapacitor device was fabricated using Yb@NiFe₂O₄/rGO nanocomposite as the positive electrode and activated carbon as the negative electrode and the observed specific capacitance was found to be of 345.1 F/g at a current density of 1 mA/g. Electrochemical hydrogen evolution reaction (HER) was examined using linear sweep voltammetry (LSV) studies and the observed overpotentials of Yb@NiFe₂O₄ and Yb@NiFe₂O₄/rGO nanocomposite at 10 mA/cm² current density are 136 and 107 mV, respectively. The Tafel slopes for the platinum electrode, Yb@NiFe₂O₄/rGO, and Yb@NiFe₂O₄ composites were calculated to be 101, 182, and 225 mV/dec, respectively. The higher conductivity, surface area, diverse oxidation states, and quick electron mobility in Yb@NiFeO₄/rGO could be the reasons for the superior activity as compared to pristine materials. The robust stability of Yb@NiFe₂O₄/rGO in various electrochemical applications for energy conversion and storage presents an opportunity for further investigation into ferrite-based carbon materials.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112898"},"PeriodicalIF":5.1,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216310","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":"Self-supported nitrogen doped and electrochemically active nanofibrous carbon for the efficient removal of aqueous lead ions by adsorption","authors":"Anmol Pandey,&nbsp;Urukuti Venkatakishore,&nbsp;Bhaskar Bhaduri","doi":"10.1016/j.diamond.2025.112894","DOIUrl":"10.1016/j.diamond.2025.112894","url":null,"abstract":"<div><div>Self-supported carbon nanofiber (CNF) was synthesized using Cu-tartrate as a precursor through H₂-reduction and catalytic chemical vapour deposition (CVD). The synthesis involved two key steps: reduction of Cu-tartrate to Cu nanoparticles (NPs) at 300 °C, followed by CVD of acetylene at 350 °C, with Cu NPs serving as catalyst for CNF growth. Temperature-programmed reduction (TPR) guided the choice of reduction conditions. The resulting material (Cu-CNF) was further functionalized with tetraethylenepentamine (TEPA) at varying loadings (10–40%) to introduce nitrogen functionalities. The amine treated materials are termed as x-TEPA-Cu-CNF (x = loading of TEPA). Characterization by SEM/TEM confirmed the tubular morphology of CNFs and the presence of Cu NPs (avg. size: 24 nm, by XRD analysis) at the tips of CNFs. The materials were tested for Pb²⁺ removal from aqueous solutions. The best performance was observed for 30 %-TEPA-Cu-CNF, with a maximum Pb²⁺ adsorption capacity of 179 ± 4 mg/g at pH 6 by Liu's isotherm model. Adsorption followed pseudo-second-order kinetics and Liu isotherm, indicating chemisorption and multilayer behaviour. The removal mechanism involved electrostatic attraction, surface complexation between oxygen containing surface functional groups (–OH, -COOH) and Pb²⁺ ions, pore filling, and NH₂–Pb²⁺ complexation. Electrochemical analysis showed that 30 %-TEPA-Cu-CNF electrochemically active, with electrochemically accessible area was approximately 73.68 times greater than the flat projected geometric surface area of the electrode, due to surface roughness and porosity. Low R_s and R_ct values confirmed good ionic conductivity and fast charge transfer, highlighting the material's potential for practical water treatment applications.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112894"},"PeriodicalIF":5.1,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216421","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":"Real time detection of vanillin food additive using an electrochemical sensor based on MXene (Ti3C2Tx)/ZnS QDs nanocomposite","authors":"Balaji Parasuraman ,&nbsp;Ganapathi Bharathi ,&nbsp;Jeevabharathi Sekar ,&nbsp;Pazhanivel Thangavelu","doi":"10.1016/j.diamond.2025.112884","DOIUrl":"10.1016/j.diamond.2025.112884","url":null,"abstract":"<div><div>Vanillin (VA) is commonly used as a flavoring agent and is also recognized for its diverse biological activities, such as antidepressant, anticancer, anti-inflammatory, and antioxidant effects. However, excessive intake of vanillin may adversely impact liver and kidney function, highlighting the need for simple, fast, and reliable methods for its detection<strong>.</strong> In this study, an electrochemical sensor based on Ti₃C₂T_x/ZnS QDs nanocomposites was developed for real-time detection of VA, a widely used food additive. The Ti₃C₂T_x/ZnS QDs nanocomposites were prepared via a simple hydrothermal technique and characterized using various physiochemical methods. Results obtained from XRD, Raman, HR-SEM, HR-TEM, and XPS results demonstrated that Ti₃C₂T_x/ZnS QDs have been formed with good crystallinity, vibrational modes, morphology, and elemental composition. Moreover, the resulting Ti₃C₂T_x/ZnS QDs nanocomposites exhibited excellent electrochemical properties, including enhanced surface area, high conductivity, and improved electron transfer mobility. The electrochemical characteristics of Ti₃C₂T_x/ZnS QDs nanocomposites are examined by decorating them over a glassy carbon electrode (GCE) conventional electrode and tested it for the detection of VA food additives. The electrochemical oxidation of VA food additive based on the Ti₃C₂T_x/ZnS QDs modified GCE demonstrated a wide linear range of 0.5–600 μM, a superior sensitivity of 0.451 μAμM⁻¹ cm⁻² and a lower limit of detection (LOD) of 3.21 μM. Additionally, the sensor displayed excellent stability, reproducibility, and selectivity for VA detection, even in the presence of common interfering compounds. Besides, the Ti₃C₂T_x/ZnS QDs modified GCE was used to detect the VA in real samples, such as ice-cream and milk tea, and the sufficient recovery results were obtained. The sample like milk tea and ice cream is analyzed as a real sample with feasible and quantification results which were compared with HPLC analysis. Thus, experimental results confirms the practical applicability of the sensor for food safety monitoring.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112884"},"PeriodicalIF":5.1,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216321","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":"Comparative evaluation of artificial intelligence based prediction of dye removal by ultrasonic activated carbon composites derived from mixed biomass: Optimization and sensitivity analysis using Garson and Pertubation method","authors":"S. Karishma ,&nbsp;Y.P. Ragini ,&nbsp;A. Saravanan ,&nbsp;A.S. Vickram","doi":"10.1016/j.diamond.2025.112886","DOIUrl":"10.1016/j.diamond.2025.112886","url":null,"abstract":"<div><div>Development of efficient and sustainable adsorbent along with predictive tools has become crucial for the effective pollutant remediation strategies. The current research introduces a novel integration of ultrasonication modified algal-manila tamarind seed biomass (UAMTB) with Artificial intelligence based predictive modelling for the effective dye removal. The potential surface and functional nature has been analysed by material characterization studies. Highest adsorption capacity of 298.85 mg/g for Basic Orange (BO) and 283.88 mg/g for Eriochrome Black (EB) dye has been observed at UAMTB dose of 1.2 g/L within a time interval of 25 min. In the AI model training comparing Artificial Neural Network (ANN) and Adaptive Neuro Fuzzy Inference System (ANFIS), best performance was obtained for the tansig purelin model with optimal neural architectures of [4 25 1] for BO dye and [4 30 1] for EB dye with higher R value of 0.9977 and 0.9986 for EB and BO dye respectively in ANN model. The Mean squared Error (MSE) value for the tansig-purelin model was found to be 0.0012 with ANN model which was higher than ANFIS MSE value of 1.13. Sensitivity analysis using Garson and Perturbation method observed that the UAMTB dose is the most influential input variable in the current adsorption process. The dual model approach of sensitivity analysis validates the efficacy of ANN modelling for process optimization in complex adsorption systems.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112886"},"PeriodicalIF":5.1,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216416","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":"Synthesis of Highly Reusable TiO₂–Carbon Nanofibers for Efficient Removal of Pharmaceutical Pollutants from Wastewater","authors":"Kim Jitae ,&nbsp;Minh Viet Nguyen ,&nbsp;Huong Pham Thi","doi":"10.1016/j.diamond.2025.112893","DOIUrl":"10.1016/j.diamond.2025.112893","url":null,"abstract":"<div><div>Recently, the growing issue of pharmaceutical pollutants (PCs) has resulted in the development of various technologies for their removal from wastewater. This study investigates an effective method for removing PCs using a combined adsorption–photocatalytic degradation process based on TiO₂-loaded carbon nanofibers (TiO₂–CNFs). The synthesized material exhibits high thermal stability, excellent electrical conductivity, strong adsorption and photocatalytic activity, and easy reusability, indicating its suitability as a cost-effective solution for wastewater treatment. Acetaminophen (ACP) and tetracycline (TC) were selected as model pharmaceutical contaminants to evaluate the adsorption–photocatalytic performance of TiO₂–CNF composite. In sewage wastewater, TiO₂–CNF catalyst effectively removed 96.8 % of ACP and 90.3 % of TC. It also maintained high removal efficiencies of 73.5 % and 61.2 % for ACP and TC, respectively, after eight reuse cycles. Besides, total organic carbon reduction, radical-quenching experiments, and liquid chromatography–mass spectrometry analyses were conducted to propose the removal mechanisms of ACP and TC. In addition, the limitations and benefits of CNF adsorption, TiO₂-based photocatalytic degradation, and the combined TiO₂–CNF method for removing PCs were discussed.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112893"},"PeriodicalIF":5.1,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216966","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":"Novel sulfur-doped hierarchical porous carbon from marine biomass for high-performance supercapacitor","authors":"Jie Tang ,&nbsp;Chengkai Liu ,&nbsp;Xingyu Lu ,&nbsp;Yudie Li ,&nbsp;Yi Meng ,&nbsp;Yunfeng Tian ,&nbsp;Bo Chi ,&nbsp;Kaisheng Xia","doi":"10.1016/j.diamond.2025.112890","DOIUrl":"10.1016/j.diamond.2025.112890","url":null,"abstract":"<div><div>Although hierarchical porous carbon materials are known for their excellent rate capability, they often suffer from low energy density in supercapacitors. Here, we present a novel approach to synthesizing hierarchical micro-mesoporous, sulfur-doped carbon derived from carrageenan biomass, which is being evaluated as a supercapacitor electrode material. The CA material is characterized by a high sulfur content (2.7 at. %), primarily in the form of sulfur-functionalized C-S-C bonds, alongside a variety of oxidized sulfur species. The ideal porous structure, with a micropore ratio of 63 %, is the result of the unique cation-induced self-assembly of carrageenan. The CA material exhibits an impressive specific capacitance of 204 F g⁻¹ and higher capacitance retention rates of 74.5 % in a three-electrode configuration. When assembled into a symmetric supercapacitor, it delivers an exceptionally high energy density of 16.6 Wh kg⁻¹ at 199 W kg⁻¹ in a 1 M Na₂SO₄ aqueous electrolyte. These values exceed those of most previously reported hierarchical porous and heteroatom-doped carbon materials. This study presents a green, scalable synthesis route for producing sulfur-doped, hierarchical, porous carbon materials. The method uses the intrinsic -OSO₃⁻ groups and metal ions in carrageenan to enable in situ sulfur doping and self-templated pore formation. This avoids the need for toxic sulfur-containing precursors or gases, which are typically required in conventional approaches. The resulting material exhibits promising potential for application in high-performance, industrial-scale supercapacitors.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112890"},"PeriodicalIF":5.1,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216328","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":"Synthesis of MOF-derived Ru/N-doped porous carbon for electrocatalytic hydrogen evolution reaction","authors":"Kanwal Iqbal ,&nbsp;Muhammad Awais Nawaz ,&nbsp;Muhammad Sohail Bashir ,&nbsp;Hassan Akhtar ,&nbsp;Muhammad Jamil ,&nbsp;Ibrahim A. Shaaban ,&nbsp;Tayyaba Najam ,&nbsp;Muhammad Altaf Nazir ,&nbsp;Syed Shoaib Ahmad Shah","doi":"10.1016/j.diamond.2025.112892","DOIUrl":"10.1016/j.diamond.2025.112892","url":null,"abstract":"<div><div>The alkaline hydrogen evolution reaction (HER) presents a critical challenge in water electrolysis due to its inherently sluggish kinetics. To address this limitation, we developed a cage-confinement strategy (CCS) to precisely anchor ultrafine ruthenium (Ru) nanoclusters on metal-organic framework (MOF)-derived nitrogen-doped porous carbon (NPC), enabling simultaneous control over electronic structure and particle size distribution. The optimized Ru@NPC catalyst demonstrates exceptional HER performance, achieving a remarkably low overpotential of 81.6 mV at 10 mA cm⁻² - a 5.3-fold improvement over the bare NPC support (436 mV). The material's superior reaction kinetics are further evidenced by its low Tafel slope of 51 mV dec⁻¹, approaching the theoretical limit for Volmer-Heyrovsky mechanisms. Combined with excellent durability, these results establish Ru@NPC as a promising noble metal-efficient electrocatalyst for sustainable hydrogen production, demonstrating the effectiveness of our CCS approach in designing high-performance catalytic architectures.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112892"},"PeriodicalIF":5.1,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216326","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":"Effect of functionalized MWCNTs as lubricants and synergy with 1,2,4-Triazole on chemical mechanical polishing properties of copper films","authors":"Jiahui Li ,&nbsp;Xinhuan Niu ,&nbsp;Jiakai Zhou ,&nbsp;Chao He ,&nbsp;Xinjie Li ,&nbsp;Changxin Dong ,&nbsp;Zheng Wu ,&nbsp;Bin Hu","doi":"10.1016/j.diamond.2025.112889","DOIUrl":"10.1016/j.diamond.2025.112889","url":null,"abstract":"<div><div>In order to decrease chemical consumption and improve surface quality in copper chemical mechanical polishing (CMP), functionalized multi-walled carbon nanotubes (MWCNTs) were innovatively employed in this study as lubricants and worked in synergy with 1,2,4-triazole (TAZ). The optimal TAZ concentration of 0.004 wt% was determined by dynamic polishing experiments, at which the surface roughness (Sq) could reach 2.15 nm. X-ray photoelectron spectroscopy analysis confirmed that TAZ can form a dense passivation film on copper surfaces, significantly inhibiting excessive corrosion. However, atomic force microscope measurements revealed that scratches appeared on the surface after polishing. To address this, three functionalized MWCNTs (MWCNTs-COOH, MWCNTs-OH, MWCNTs-NH₂) were further introduced from a mechanical perspective. Experimental results indicate that they can effectively improve surface quality through a synergistic mechanism of “rolling lubrication-pressure buffering,” with MWCNTs-OH exhibiting the best performance, further reducing surface roughness to 1.21 nm. The findings uncover the underlying mechanisms of nanomaterials' novel functions in CMP.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112889"},"PeriodicalIF":5.1,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216965","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":"Coupled thermal dynamics and performance degradation in high-power continuous-wave diamond Raman lasers","authors":"Fei Zhang ,&nbsp;Pengfei Li ,&nbsp;Yifu Chen ,&nbsp;Hui Chen ,&nbsp;Hao Zheng ,&nbsp;Kun Wang ,&nbsp;Jie Ding ,&nbsp;Yulei Wang ,&nbsp;Zhiwei Lu ,&nbsp;Zhenxu Bai","doi":"10.1016/j.diamond.2025.112887","DOIUrl":"10.1016/j.diamond.2025.112887","url":null,"abstract":"<div><div>Diamond is a highly promising crystalline material for high-power laser generation due to its exceptional thermal conductivity, broad optical transparency, and high nonlinear gain coefficient. However, its superior thermal conductivity also presents challenges for thermal management in laser systems. In this study, the thermal evolution of a diamond crystal and its impact on the output performance of a continuous-wave (CW) diamond Raman laser were experimentally investigated using real-time infrared thermography. The results reveal that, once the pump power exceeds the lasing threshold and Stokes radiation is initiated, the surface temperature of the diamond rises rapidly and exhibits significant spatial non-uniformity, with peak temperatures concentrated at the center of the pump beam. The Stokes output power exhibits a nonlinear “rise-and-fall” trend with increasing pump power due to thermal lensing–induced cavity mode mismatch. Combined theoretical modeling and experimental validation reveal a coupled relationship among the crystal temperature, thermal lens focal length, and Stokes beam characteristics. The analysis demonstrates that temperature is not an independent parameter; instead, it acts as a coupled variable co-evolving with pump power, jointly influencing Raman gain and cavity mode stability. These findings provide both theoretical insight and experimental evidence to support the optimization of thermal management strategies in high-power diamond Raman lasers. To the best of our knowledge, this is the first study to systematically reveal the nonlinear coupling among temperature evolution, thermal lensing, and output power degradation under CW operation, providing new insights for the design of thermally robust Raman laser systems.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112887"},"PeriodicalIF":5.1,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216415","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":"Molecular dynamics study of scratch behaviors in metallic glass/graphene composites: Role of graphene and probe","authors":"Jun Hua ,&nbsp;Lei Huang ,&nbsp;Zhenghong Zhu ,&nbsp;Yuxuan Wang","doi":"10.1016/j.diamond.2025.112868","DOIUrl":"10.1016/j.diamond.2025.112868","url":null,"abstract":"<div><div>Metallic glasses (MGs) exhibit high strength, elasticity, and corrosion resistance; however, their limited ductility and poor wear resistance caused by the initiation and propagation of shear bands hinder their wider engineering applications. To address these issues, graphene layers are introduced as a reinforcing phase to form MG/graphene nanolaminate composites. Molecular dynamics simulations reveal that graphene layers effectively impede the propagation of shear bands and enhance the scratch properties by generating shear transformation zones that propagate laterally. When the graphene interlayer spacing is 1–1.5 nm, the load-bearing capacity is enhanced and the friction coefficient decreases. For MG/graphene/MG-1 with graphene interlayer spacing of 1 nm, the average friction coefficient is reduced to 0.67 compared with 1.69 for Cu₅₀Zr₅₀, corresponding to a 60 % decrease. At greater scratch depths, the reduction is even more pronounced, with the coefficient dropping to 0.49, nearly 71.7 % lower than that of the pure MG. Compared to the conical probe, the spherical probe increases the normal load by more than twice and decreases the friction coefficient by about 30 %, demonstrating a significant improvement in frictional performance. It reveals dual reinforcement mechanisms in MG/graphene composites—interlayer sliding and Shear Transformation Zone (STZ) regulation—and further demonstrates that graphene buffers the speed sensitivity of plastic deformation. These findings provide new atomistic insights beyond previous MD studies and establish a more comprehensive understanding of nanoscale tribological enhancement.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"159 ","pages":"Article 112868"},"PeriodicalIF":5.1,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216324","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}