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MPCVD grown high quality diamond single crystal film for high-speed solar-blind UV photodetectors with TiC ohmic contacts
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2025-03-12 DOI: 10.1016/j.diamond.2025.112199
Yushuo Hu , Cien Liu , Guangyu Cao , Xing Zhang , Yihong Chen , Hongwei Dai , Xiyao He , Hao Long , Shengwang Yu , Xiangyu Xu , Kelvin H.L. Zhang
Single crystal diamond has emerged as promising semiconductor for power electronics, quantum sensing and radiation detection, because of its ultra-wide bandgap, high breakdown field and high stability. In this work, we report the growth of high-quality single crystal diamond film using microwave plasma-enhanced chemical vapor deposition (MPCVD) and the fabrication of metal-semiconductor-metal (MSM) structured photodetectors for solar blind UV light detection. The single crystal diamond film has a full width at half maximum (FWHM) of 80 arcsec and a Raman FWHM of 2.1 cm−1, and a low root mean square (RMS) surface roughness of 0.5 nm. The solar-blind photodetectors (SBPDs) are highly sensitive to solar-blind UV spectrum with the specific wavelength of 222 nm, and achieve a low dark current of 2.3 × 10−11 An under 20 V bias, a specific detectivity of 4.4 × 1012 Jones and a rapid response speed with a decay time of 78.6 μs. The enhanced performance of the SBPDs is attributed to the high crystalline quality of the diamond films and the optimized ohmic contact at the device interface, which facilitates the efficient transport of photogenerated charge carriers. The diamond-based photodetectors with high sensitivity, rapid response and stability have potential applications in the field of space detection, medical diagnosis and environmental monitoring.
{"title":"MPCVD grown high quality diamond single crystal film for high-speed solar-blind UV photodetectors with TiC ohmic contacts","authors":"Yushuo Hu ,&nbsp;Cien Liu ,&nbsp;Guangyu Cao ,&nbsp;Xing Zhang ,&nbsp;Yihong Chen ,&nbsp;Hongwei Dai ,&nbsp;Xiyao He ,&nbsp;Hao Long ,&nbsp;Shengwang Yu ,&nbsp;Xiangyu Xu ,&nbsp;Kelvin H.L. Zhang","doi":"10.1016/j.diamond.2025.112199","DOIUrl":"10.1016/j.diamond.2025.112199","url":null,"abstract":"<div><div>Single crystal diamond has emerged as promising semiconductor for power electronics, quantum sensing and radiation detection, because of its ultra-wide bandgap, high breakdown field and high stability. In this work, we report the growth of high-quality single crystal diamond film using microwave plasma-enhanced chemical vapor deposition (MPCVD) and the fabrication of metal-semiconductor-metal (MSM) structured photodetectors for solar blind UV light detection. The single crystal diamond film has a full width at half maximum (FWHM) of 80 arcsec and a Raman FWHM of 2.1 cm<sup>−1</sup>, and a low root mean square (RMS) surface roughness of 0.5 nm. The solar-blind photodetectors (SBPDs) are highly sensitive to solar-blind UV spectrum with the specific wavelength of 222 nm, and achieve a low dark current of 2.3 × 10<sup>−11</sup> An under 20 V bias, a specific detectivity of 4.4 × 10<sup>12</sup> Jones and a rapid response speed with a decay time of 78.6 μs. The enhanced performance of the SBPDs is attributed to the high crystalline quality of the diamond films and the optimized ohmic contact at the device interface, which facilitates the efficient transport of photogenerated charge carriers. The diamond-based photodetectors with high sensitivity, rapid response and stability have potential applications in the field of space detection, medical diagnosis and environmental monitoring.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"154 ","pages":"Article 112199"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642890","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
Optimized dispersion and multidimensional mechanical property enhancement mechanisms in reduced graphene oxide nanosheet reinforced epoxy composite coatings
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2025-03-11 DOI: 10.1016/j.diamond.2025.112194
Jun Zhang , Daehyeok Kim , Donggil Lee , Taek Hee Han , Nam Hyoung Lim , Jun Hyun Han
This study systematically investigates the impact of reduced graphene oxide (RGO) nanosheet content on the mechanical and adhesion properties of RGO/epoxy resin composites. The performance of these composites as coatings, adhesives, and bulk materials was comprehensively evaluated at various RGO nanosheet concentrations (0 wt%, 0.05 wt%, 0.1 wt%, 0.5 wt%, and 1 wt%) using scratch tests, lap shear tests, and tensile tests. Additionally, analytical methods including SEM, Raman spectroscopy, and FTIR were employed to assess RGO nanosheet dispersion, interfacial bonding strength, and the composites' failure mechanisms. The results demonstrated that low RGO nanosheet contents (0.05 wt% and 0.1 wt%) significantly enhanced the fracture toughness and adhesion strength of the composites through mechanisms such as microcrack formation, crack pinning, and crack deflection. At 0.1 wt% RGO nanosheet, the composite exhibited optimal mechanical properties, showing the highest hardness, scratch resistance, and lap shear strength. This was attributed to the uniform dispersion of RGO nanosheet and strong interfacial bonding achieved through hydrogen bonding and physical cross-linking. In contrast, higher RGO nanosheet contents (0.5 wt% and 1 wt%) led to agglomeration, which reduced interfacial compatibility, created stress concentration areas, and promoted crack propagation, thus decreasing the composites' toughness and adhesion properties. Overall, the study suggests that controlling the dispersion and concentration of RGO nanosheet is essential for achieving high-performance RGO/epoxy composites, offering valuable insights for the design of advanced composite materials.
{"title":"Optimized dispersion and multidimensional mechanical property enhancement mechanisms in reduced graphene oxide nanosheet reinforced epoxy composite coatings","authors":"Jun Zhang ,&nbsp;Daehyeok Kim ,&nbsp;Donggil Lee ,&nbsp;Taek Hee Han ,&nbsp;Nam Hyoung Lim ,&nbsp;Jun Hyun Han","doi":"10.1016/j.diamond.2025.112194","DOIUrl":"10.1016/j.diamond.2025.112194","url":null,"abstract":"<div><div>This study systematically investigates the impact of reduced graphene oxide (RGO) nanosheet content on the mechanical and adhesion properties of RGO/epoxy resin composites. The performance of these composites as coatings, adhesives, and bulk materials was comprehensively evaluated at various RGO nanosheet concentrations (0 wt%, 0.05 wt%, 0.1 wt%, 0.5 wt%, and 1 wt%) using scratch tests, lap shear tests, and tensile tests. Additionally, analytical methods including SEM, Raman spectroscopy, and FTIR were employed to assess RGO nanosheet dispersion, interfacial bonding strength, and the composites' failure mechanisms. The results demonstrated that low RGO nanosheet contents (0.05 wt% and 0.1 wt%) significantly enhanced the fracture toughness and adhesion strength of the composites through mechanisms such as microcrack formation, crack pinning, and crack deflection. At 0.1 wt% RGO nanosheet, the composite exhibited optimal mechanical properties, showing the highest hardness, scratch resistance, and lap shear strength. This was attributed to the uniform dispersion of RGO nanosheet and strong interfacial bonding achieved through hydrogen bonding and physical cross-linking. In contrast, higher RGO nanosheet contents (0.5 wt% and 1 wt%) led to agglomeration, which reduced interfacial compatibility, created stress concentration areas, and promoted crack propagation, thus decreasing the composites' toughness and adhesion properties. Overall, the study suggests that controlling the dispersion and concentration of RGO nanosheet is essential for achieving high-performance RGO/epoxy composites, offering valuable insights for the design of advanced composite materials.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"154 ","pages":"Article 112194"},"PeriodicalIF":4.3,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143610055","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
High-performance chitin-based carbon aerogels with mesoporous structure for electromagnetic interference shielding
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2025-03-11 DOI: 10.1016/j.diamond.2025.112198
Yuanjin Zeng , Yaqi Wang , Longxiang Zhan , Zhuqun Shi , Chuanxi Xiong , Quanling Yang
Traditional electromagnetic shielding materials based on reflection were no longer suitable for the current complex environment. Carbon aerogels have emerged as potential materials for achieving exceptional electromagnetic interference shielding effectiveness (EMI SE) and low reflection. However, it is still a challenge to find a simple method to achieve the heteroatom doping of carbon aerogels. In this work, nitrogen (N)-doped carbon aerogels were successfully obtained using pure chitin serving as the carbon precursor. The obtained carbon aerogels had obvious mesoporous structure, which significantly enhanced impedance matching between the material and air, thereby prolonged the transmission path of electromagnetic waves (EMWs). Furthermore, the doping of N introduced defects that acted as polarization centers, further facilitating the dissipation of EMWs. The chitin-derived carbon aerogels exhibited an impressive EMI SE of 34.4 dB at 900 °C, with effective absorption coefficient exceeding 90 %. This self-doping approach offered valuable insights for enhancing EMI SE in materials and presented a novel strategy for the development of biomass-based carbon aerogels with tunable electromagnetic shielding properties.
{"title":"High-performance chitin-based carbon aerogels with mesoporous structure for electromagnetic interference shielding","authors":"Yuanjin Zeng ,&nbsp;Yaqi Wang ,&nbsp;Longxiang Zhan ,&nbsp;Zhuqun Shi ,&nbsp;Chuanxi Xiong ,&nbsp;Quanling Yang","doi":"10.1016/j.diamond.2025.112198","DOIUrl":"10.1016/j.diamond.2025.112198","url":null,"abstract":"<div><div>Traditional electromagnetic shielding materials based on reflection were no longer suitable for the current complex environment. Carbon aerogels have emerged as potential materials for achieving exceptional electromagnetic interference shielding effectiveness (EMI SE) and low reflection. However, it is still a challenge to find a simple method to achieve the heteroatom doping of carbon aerogels. In this work, nitrogen (N)-doped carbon aerogels were successfully obtained using pure chitin serving as the carbon precursor. The obtained carbon aerogels had obvious mesoporous structure, which significantly enhanced impedance matching between the material and air, thereby prolonged the transmission path of electromagnetic waves (EMWs). Furthermore, the doping of N introduced defects that acted as polarization centers, further facilitating the dissipation of EMWs. The chitin-derived carbon aerogels exhibited an impressive EMI SE of 34.4 dB at 900 °C, with effective absorption coefficient exceeding 90 %. This self-doping approach offered valuable insights for enhancing EMI SE in materials and presented a novel strategy for the development of biomass-based carbon aerogels with tunable electromagnetic shielding properties.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"154 ","pages":"Article 112198"},"PeriodicalIF":4.3,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620609","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
Preparation of Ni-coated HfCxNy composite powders by electroless plating
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2025-03-11 DOI: 10.1016/j.diamond.2025.112196
Yu Dai, Fanhao Zeng, Meiyan Chen, Zengjing Li
This study reports a refined electroless nickel plating strategy to achieve uniform metallic coatings on hafnium carbonitride (HfCN) powders, advancing the development of high-performance metal matrix composites. By integrating a simplified, environmentally benign protocol involving sequential cleaning, sensitization, and activation steps, we successfully synthesized Ni-coated HfCN particles with controlled interfacial properties. Systematic optimization of bath chemistry specifically, nickel chloride hexahydrate (NiCl₂·6H₂O, 30 g/L) and dimethylamine-borane (DMAB, 17.5 g/L)—yielded a high nickel deposition efficiency of 192.4 mg/g. Microscopic analysis confirmed the formation of a continuous, dense nickel layer (150–200 nm thickness) with homogeneous surface coverage. This meticulous control over the plating parameters ensures a robust interfacial bond with the metal matrix, crucial for enhancing the mechanical strength and thermal conductivity of the composites.
{"title":"Preparation of Ni-coated HfCxNy composite powders by electroless plating","authors":"Yu Dai,&nbsp;Fanhao Zeng,&nbsp;Meiyan Chen,&nbsp;Zengjing Li","doi":"10.1016/j.diamond.2025.112196","DOIUrl":"10.1016/j.diamond.2025.112196","url":null,"abstract":"<div><div>This study reports a refined electroless nickel plating strategy to achieve uniform metallic coatings on hafnium carbonitride (HfCN) powders, advancing the development of high-performance metal matrix composites. By integrating a simplified, environmentally benign protocol involving sequential cleaning, sensitization, and activation steps, we successfully synthesized Ni-coated HfCN particles with controlled interfacial properties. Systematic optimization of bath chemistry specifically, nickel chloride hexahydrate (NiCl₂·6H₂O, 30 g/L) and dimethylamine-borane (DMAB, 17.5 g/L)—yielded a high nickel deposition efficiency of 192.4 mg/g. Microscopic analysis confirmed the formation of a continuous, dense nickel layer (150–200 nm thickness) with homogeneous surface coverage. This meticulous control over the plating parameters ensures a robust interfacial bond with the metal matrix, crucial for enhancing the mechanical strength and thermal conductivity of the composites.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"154 ","pages":"Article 112196"},"PeriodicalIF":4.3,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143680779","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
Unravelling the dynamics of g-C₃N₄ monolayer as a potential anode for sodium-ion storage: A first-principles study
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2025-03-09 DOI: 10.1016/j.diamond.2025.112192
V. Shivani, S. Sriram
The present work employs first principles analysis to study the electrochemical dynamics of the tri-s-triazine g-C3N4 monolayer for its potential application as an anode in sodium-ion batteries. Initially, we perform first-principles simulations to examine four possible sodium adsorption sites on g-C₃N₄: Top of Carbon (TC), Top of Nitrogen (TN), Bridge site between Carbon and Nitrogen (BC-N), and Hollow site between Carbon and Nitrogen (HC-N). According to our findings, sodium adsorption causes an increase in the bandgap, and for the adsorption site concern, the HC-N site is the most energetically favorable site. The material tri-s-triazine g-C3N4 exhibits a good open circuit voltage of 1.36 V, a high storage capacity of 1455.47 mAh/g, and a low diffusion barrier of 0.292 eV, which allows rapid charge-discharge cycles. Ab initio molecular dynamics simulation is performed on g-C₃N₄ to verify the thermal stability at 500 K during sodium adsorption. These results suggest favorable electrochemical performance, effective charge transfer, and structural stability of g-C₃N₄ is a promising SIB anode material.
{"title":"Unravelling the dynamics of g-C₃N₄ monolayer as a potential anode for sodium-ion storage: A first-principles study","authors":"V. Shivani,&nbsp;S. Sriram","doi":"10.1016/j.diamond.2025.112192","DOIUrl":"10.1016/j.diamond.2025.112192","url":null,"abstract":"<div><div>The present work employs first principles analysis to study the electrochemical dynamics of the tri-<em>s</em>-triazine g-C<sub>3</sub>N<sub>4</sub> monolayer for its potential application as an anode in sodium-ion batteries. Initially, we perform first-principles simulations to examine four possible sodium adsorption sites on g-C₃N₄: Top of Carbon (T<sub>C</sub>), Top of Nitrogen (T<sub>N</sub>), Bridge site between Carbon and Nitrogen (B<sub>C-N</sub>), and Hollow site between Carbon and Nitrogen (H<sub>C-N</sub>). According to our findings, sodium adsorption causes an increase in the bandgap, and for the adsorption site concern, the H<sub>C-N</sub> site is the most energetically favorable site. The material tri-<em>s</em>-triazine g-C<sub>3</sub>N<sub>4</sub> exhibits a good open circuit voltage of 1.36 V, a high storage capacity of 1455.47 mAh/g, and a low diffusion barrier of 0.292 eV, which allows rapid charge-discharge cycles. Ab initio molecular dynamics simulation is performed on g-C₃N₄ to verify the thermal stability at 500 K during sodium adsorption. These results suggest favorable electrochemical performance, effective charge transfer, and structural stability of g-C₃N₄ is a promising SIB anode material.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"154 ","pages":"Article 112192"},"PeriodicalIF":4.3,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592516","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
Fast synthesis of Co₃O₄-MXene nanocomposites via microwave assistance for energy storage applications
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2025-03-08 DOI: 10.1016/j.diamond.2025.112191
P.E. Lokhande , Vishal Kadam , Chaitali Jagtap , Udayabhaskar Rednam , Narendra Lakal , Bandar Ali Al-Asbahi
The present study introduces a Co₃O₄ and Ti₃C₂Tₓ nanocomposite, synthesized via an ultrafast microwave-assisted method for electrochemical energy storage applications. Morphological and structural analyses indicated the formation of a nanoflower-like Co₃O₄-MXene nanocomposite, which is advantageous for the swift and efficient diffusion of electrolytes, thereby enhancing electrochemical performance. The growth of Co₃O₄ in a layered structure enhances ion diffusion. The Co₃O₄-MXene nanocomposite demonstrated a maximum specific capacitance of 868 F g−1 at a current density of 1 A g−1, along with excellent rate capability and cyclic stability. Furthermore, the assembled all solid-state asymmetric supercapacitor (ASC) exhibited an energy density of 10.41 Wh kg−1 at a power density of 2500 W kg−1, along with remarkable cycling stability, preserving 97.6 % of its initial capacitance after 5000 cycles. The obtained results demonstrate the significant improvement in electrochemical performance of Co₃O₄ due to addition of Ti₃C₂Tₓ.
{"title":"Fast synthesis of Co₃O₄-MXene nanocomposites via microwave assistance for energy storage applications","authors":"P.E. Lokhande ,&nbsp;Vishal Kadam ,&nbsp;Chaitali Jagtap ,&nbsp;Udayabhaskar Rednam ,&nbsp;Narendra Lakal ,&nbsp;Bandar Ali Al-Asbahi","doi":"10.1016/j.diamond.2025.112191","DOIUrl":"10.1016/j.diamond.2025.112191","url":null,"abstract":"<div><div>The present study introduces a Co₃O₄ and Ti₃C₂Tₓ nanocomposite, synthesized via an ultrafast microwave-assisted method for electrochemical energy storage applications. Morphological and structural analyses indicated the formation of a nanoflower-like Co₃O₄-MXene nanocomposite, which is advantageous for the swift and efficient diffusion of electrolytes, thereby enhancing electrochemical performance. The growth of Co₃O₄ in a layered structure enhances ion diffusion. The Co₃O₄-MXene nanocomposite demonstrated a maximum specific capacitance of 868 F g<sup>−1</sup> at a current density of 1 A g<sup>−1</sup>, along with excellent rate capability and cyclic stability. Furthermore, the assembled all solid-state asymmetric supercapacitor (ASC) exhibited an energy density of 10.41 Wh kg<sup>−1</sup> at a power density of 2500 W kg<sup>−1</sup>, along with remarkable cycling stability, preserving 97.6 % of its initial capacitance after 5000 cycles. The obtained results demonstrate the significant improvement in electrochemical performance of Co₃O₄ due to addition of Ti₃C₂Tₓ.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"154 ","pages":"Article 112191"},"PeriodicalIF":4.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592515","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
Simulation of the mechanical properties of crystalline diamond nanoparticles with an amorphous carbon shell
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2025-03-08 DOI: 10.1016/j.diamond.2025.112188
Gonzalo García-Vidable , Nicolás Amigo , Francisco E. Palay , Rafael I. González , Franco Aquistapace , Eduardo M. Bringa
The mechanical behavior of core/shell nanoparticles (CS-NPs) with a cubic diamond crystalline core and an amorphous carbon shell was investigated through molecular dynamics simulations using indentation tests. Different CS-NPs were considered, all with a 10 nm core diameter but varying shell thicknesses ranging from 0.0 to 6.5 nm. Indentation revealed a similar elastic response followed by plastic deformation. Increasing shell thickness resulted in a softening effect, with reductions in both maximum and flow contact stress. The MultiSOM machine learning algorithm was used to detect the evolution of several phases in the initially cubic-diamond NP core. Analysis of the plastic deformation mechanisms revealed dislocation nucleation and amorphization within the core, pushing atoms at the core-shell interface and inducing shear transformation zones, which did not evolve into shear bands crossing the shell as observed in other amorphous materials. The degree of strain localization in the amorphous shell increased with shell thickness. Therefore, as shell thickness increased, amorphous shell deformation accommodated a larger fraction of the strain, decreasing dislocation nucleation but allowing more extensive amorphization in the core, with no dislocations at large strain for the thickest shell studied. These results highlight the key role of amorphous shell thickness in determining the elastic and plastic deformation behavior of CS-NPs. Shell thickness is a critical factor in both the onset of plasticity and the nature of deformation mechanisms.
{"title":"Simulation of the mechanical properties of crystalline diamond nanoparticles with an amorphous carbon shell","authors":"Gonzalo García-Vidable ,&nbsp;Nicolás Amigo ,&nbsp;Francisco E. Palay ,&nbsp;Rafael I. González ,&nbsp;Franco Aquistapace ,&nbsp;Eduardo M. Bringa","doi":"10.1016/j.diamond.2025.112188","DOIUrl":"10.1016/j.diamond.2025.112188","url":null,"abstract":"<div><div>The mechanical behavior of core/shell nanoparticles (CS-NPs) with a cubic diamond crystalline core and an amorphous carbon shell was investigated through molecular dynamics simulations using indentation tests. Different CS-NPs were considered, all with a 10 nm core diameter but varying shell thicknesses ranging from 0.0 to 6.5 nm. Indentation revealed a similar elastic response followed by plastic deformation. Increasing shell thickness resulted in a softening effect, with reductions in both maximum and flow contact stress. The MultiSOM machine learning algorithm was used to detect the evolution of several phases in the initially cubic-diamond NP core. Analysis of the plastic deformation mechanisms revealed dislocation nucleation and amorphization within the core, pushing atoms at the core-shell interface and inducing shear transformation zones, which did not evolve into shear bands crossing the shell as observed in other amorphous materials. The degree of strain localization in the amorphous shell increased with shell thickness. Therefore, as shell thickness increased, amorphous shell deformation accommodated a larger fraction of the strain, decreasing dislocation nucleation but allowing more extensive amorphization in the core, with no dislocations at large strain for the thickest shell studied. These results highlight the key role of amorphous shell thickness in determining the elastic and plastic deformation behavior of CS-NPs. Shell thickness is a critical factor in both the onset of plasticity and the nature of deformation mechanisms.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"154 ","pages":"Article 112188"},"PeriodicalIF":4.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592517","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
The structural, wettability, thermal, and electromagnetic irradiation shielding characteristics of acrylic polymer/graphene and acrylic polymer/graphene/carbon fiber hybrid polymers
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2025-03-07 DOI: 10.1016/j.diamond.2025.112190
Seenaa I. Hussein , Ansam Adnan Hashim , Saif M. Jasim , Nadia A. Ali , Ismat H. Ali , Mohamed Rashad , Alaa M. Abd-Elnaiem
The polymer coating protects materials from failure due to environmental changes and improves their stability and performance towards electromagnetic radiation shielding. In the current investigation, acrylic polymer (AP) was coated with varied ratios of graphene (GR) nanoparticles or co-coated with GR and 5 wt% carbon fiber (CF) via the casting method. The FTIR and SEM results demonstrated excellent coating and interaction between AP, GR, and CF. The water contact angle increased from 45.5° for pure AP to 55.8° and 68.4° for AP/2wt%GR and AP/GR/5wt%CF, respectively. The thermal conductivity was increased from 0.226 Wm−1 K−1 for AP to 0.268 Wm−1 K−1 and 0.344 Wm−1 K−1 for AP/2wt%GR and AP/GR/5wt%CF, respectively. The AP/GR composites and AP/GR/CF hybrid composites outperformed AP in terms of electromagnetic irradiation shielding efficiency, which improved with frequency. Coating with GR and GR/CF increased the relative permittivity, electrical conductivity, F-factor, and other dielectric constants, but decreased as the frequency of the applied AC voltage increased. The synthesized AP/GR/CF hybrid composites may be suitable for various technologies i.e. telephone microwave, TV image transmission, and weather radar.
{"title":"The structural, wettability, thermal, and electromagnetic irradiation shielding characteristics of acrylic polymer/graphene and acrylic polymer/graphene/carbon fiber hybrid polymers","authors":"Seenaa I. Hussein ,&nbsp;Ansam Adnan Hashim ,&nbsp;Saif M. Jasim ,&nbsp;Nadia A. Ali ,&nbsp;Ismat H. Ali ,&nbsp;Mohamed Rashad ,&nbsp;Alaa M. Abd-Elnaiem","doi":"10.1016/j.diamond.2025.112190","DOIUrl":"10.1016/j.diamond.2025.112190","url":null,"abstract":"<div><div>The polymer coating protects materials from failure due to environmental changes and improves their stability and performance towards electromagnetic radiation shielding. In the current investigation, acrylic polymer (AP) was coated with varied ratios of graphene (GR) nanoparticles or co-coated with GR and 5 wt% carbon fiber (CF) via the casting method. The FTIR and SEM results demonstrated excellent coating and interaction between AP, GR, and CF. The water contact angle increased from 45.5° for pure AP to 55.8° and 68.4° for AP/2wt%GR and AP/GR/5wt%CF, respectively. The thermal conductivity was increased from 0.226 Wm<sup>−1</sup> K<sup>−1</sup> for AP to 0.268 Wm<sup>−1</sup> K<sup>−1</sup> and 0.344 Wm<sup>−1</sup> K<sup>−1</sup> for AP/2wt%GR and AP/GR/5wt%CF, respectively. The AP/GR composites and AP/GR/CF hybrid composites outperformed AP in terms of electromagnetic irradiation shielding efficiency, which improved with frequency. Coating with GR and GR/CF increased the relative permittivity, electrical conductivity, F-factor, and other dielectric constants, but decreased as the frequency of the applied AC voltage increased. The synthesized AP/GR/CF hybrid composites may be suitable for various technologies i.e. telephone microwave, TV image transmission, and weather radar.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"154 ","pages":"Article 112190"},"PeriodicalIF":4.3,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143578577","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
Friction reduction and wear mechanisms of Si-DLC film in humid environment: A ReaxFF MD study
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2025-03-07 DOI: 10.1016/j.diamond.2025.112186
Haibo Sun, Zhuan Li, Ding Wang, Hao Zhou
This work revealed the friction reduction and wear mechanism of Si-DLC film in humid environment under varying loads and temperatures, utilizing reactive force field molecular dynamics (ReaxFF MD). The results show that Si-OH groups generated by the tribochemical reaction can promote water-lubricated film formed, which significantly reducing the friction force of the tribosystem. Under low loads, Si-DLC film undergo chemical oxidation wear, where the bonds between Si atoms tend to fracture first, while the C and Si atoms are bridged first by O atoms through oxidation and ultimately bridge bonds fractured to realize wear. Increasing load, the chemical wear is transformed into mechanical wear with high wear. Additionally, high temperature reduces the friction force of the tribosystem by increasing the low-shear strength structure of Si-DLC film, but this causes high wear of Si-DLC film.
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引用次数: 0
Imaging neutron radiation-induced defects in single-crystal chemical vapor deposition diamond at the atomic level
IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS Pub Date : 2025-03-07 DOI: 10.1016/j.diamond.2025.112189
Jialiang Zhang , Futao Huang , Shuo Li , Guojun Yu , Zifeng Xu , Lifu Hei , Fanxiu Lv , Aidan Horne , Peng Wang , Ming Qi
Diamond's exceptional properties make it highly suited for applications in challenging radiation environments. Understanding radiation-induced damage in diamond is crucial for enabling its practical applications and advancing materials science. However, direct imaging of radiation-induced crystal defects at the atomic to nanometer scale remains rare due to diamond's compact lattice structure. Here, we report the atomic-level characterization of crystal defects induced by high-flux fast neutron radiation (up to 3 × 1017 n/cm2) in single-crystal chemical vapor deposition diamonds. Through Raman spectroscopy, the phase transition from carbon sp3 to sp2 hybridization was identified, primarily associated with the formation of dumbbell-shaped interstitial defects, which represent the most prominent radiation-induced defects. Using electron energy loss spectroscopy and aberration-corrected transmission electron microscopy, we observed a clustering trend in defect distribution, where sp2-rich clusters manifested as dislocation cluster structures with a density up to 1014 cm−2. Lomer-Cottrell junctions with a Burgers vector of 1/6⟨110⟩ were identified, offering a possible explanation for defect cluster formation. Radiation-induced point defects were found to be dispersed throughout the diamond lattice, highlighting the widespread nature of primary defect formation. Vacancy defects, along with ⟨111⟩ and ⟨100⟩ oriented dumbbell-shaped interstitial defects induced by high-dose neutron irradiation, were directly imaged, providing microscopic structural evidence that complements spectroscopic studies of point defects. Dynamical simulations combined with an adiabatic recombination-based crystal damage model, provided insights into the correlation between irradiation dose and resulting crystal damage. These findings advance our understanding of neutron-induced radiation damage mechanisms in diamond and contribute to the development of radiation-resistant diamond materials.
{"title":"Imaging neutron radiation-induced defects in single-crystal chemical vapor deposition diamond at the atomic level","authors":"Jialiang Zhang ,&nbsp;Futao Huang ,&nbsp;Shuo Li ,&nbsp;Guojun Yu ,&nbsp;Zifeng Xu ,&nbsp;Lifu Hei ,&nbsp;Fanxiu Lv ,&nbsp;Aidan Horne ,&nbsp;Peng Wang ,&nbsp;Ming Qi","doi":"10.1016/j.diamond.2025.112189","DOIUrl":"10.1016/j.diamond.2025.112189","url":null,"abstract":"<div><div>Diamond's exceptional properties make it highly suited for applications in challenging radiation environments. Understanding radiation-induced damage in diamond is crucial for enabling its practical applications and advancing materials science. However, direct imaging of radiation-induced crystal defects at the atomic to nanometer scale remains rare due to diamond's compact lattice structure. Here, we report the atomic-level characterization of crystal defects induced by high-flux fast neutron radiation (up to 3 × 10<sup>17</sup> <!-->n/cm<sup>2</sup>) in single-crystal chemical vapor deposition diamonds. Through Raman spectroscopy, the phase transition from carbon sp<sup>3</sup> to sp<sup>2</sup> hybridization was identified, primarily associated with the formation of dumbbell-shaped interstitial defects, which represent the most prominent radiation-induced defects. Using electron energy loss spectroscopy and aberration-corrected transmission electron microscopy, we observed a clustering trend in defect distribution, where sp<sup>2</sup>-rich clusters manifested as dislocation cluster structures with a density up to 10<sup>14</sup> cm<sup>−2</sup>. Lomer-Cottrell junctions with a Burgers vector of 1/6⟨110⟩ were identified, offering a possible explanation for defect cluster formation. Radiation-induced point defects were found to be dispersed throughout the diamond lattice, highlighting the widespread nature of primary defect formation. Vacancy defects, along with ⟨111⟩ and ⟨100⟩ oriented dumbbell-shaped interstitial defects induced by high-dose neutron irradiation, were directly imaged, providing microscopic structural evidence that complements spectroscopic studies of point defects. Dynamical simulations combined with an adiabatic recombination-based crystal damage model, provided insights into the correlation between irradiation dose and resulting crystal damage. These findings advance our understanding of neutron-induced radiation damage mechanisms in diamond and contribute to the development of radiation-resistant diamond materials.</div></div>","PeriodicalId":11266,"journal":{"name":"Diamond and Related Materials","volume":"154 ","pages":"Article 112189"},"PeriodicalIF":4.3,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592514","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
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Diamond and Related Materials
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