Nano-Structures & Nano-Objects最新文献

{"title":"DFT study on VOC detection by Helicobacter pylori using encapsulated and mono-doped gold and silver anchored fullerene C60","authors":"Mathias O. Ajaba ,&nbsp;Anna Imojara ,&nbsp;Emmanuel K. Aidoo ,&nbsp;Okweche M. Ofie ,&nbsp;Regina O. Effiong ,&nbsp;Amawu A. Uyimulam ,&nbsp;Phebian Odufuwa ,&nbsp;Musa Runde","doi":"10.1016/j.nanoso.2025.101449","DOIUrl":"10.1016/j.nanoso.2025.101449","url":null,"abstract":"<div><div>Detecting <em>Helicobacter pylori</em> (<em>H. pylori</em>), a bacterium linked to severe gastric conditions, is crucial for effectively treating related diseases. During the infection process, this organism releases various volatile organic compounds (VOCs) such as isoamyl alcohol (3M1B), dimethyl disulfide (DMDS), hydrogen sulfide (H₂S), etcetera, which are used as biomarkers in evaluating the presence of the organism in a system or tissue. This study examines the adsorption behavior of 3M1B, DMDS, and H₂S on a Cu-doped, Au-encapsulated C₆₀ fullerene surface using Density Functional Theory (DFT). The B3LYP functional with the LANL2DZ basis set was utilized for computational analysis. The frontier molecular orbital result revealed the energy gaps to be 0.83 eV for 3M1B-Cu-Au@C60, 0.85 eV for DMDS-Cu-Au@C60, and 0.10 eV for H₂S-Cu-Au@C_60, suggesting that 3M1B-Cu-Au@C₆₀ complex has the smallest energy gap and thus, the highest reactivity. 3M1B, DMDS, and H₂S adsorption energies on Cu-Au@C₆₀ were found to be −3.16 eV, −0.74 eV, and −0.57 eV, respectively. This indicates that the VOCs underwent a chemisorption mechanism on the Cu-Au@C₆₀ surface, as 3M1B showed a solid binding compared with others. Additionally, dipole moment calculations indicated values of 10.02 Debye for 3M1B-Cu-Au@C₆₀, 6.32 Debye for DMDS-Cu-Au@C₆₀, and 7.30 Debye for H₂S-Cu-Au@C₆₀, providing further evidence of significant electronic polarization in the adsorbed systems. These findings suggest that the engineering of fullerene C₆₀ by encapsulating Au and Cu doping could be a promising candidate for biosensing and environmental applications.</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"41 ","pages":"Article 101449"},"PeriodicalIF":5.45,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic effect of AgNPs and gentamicin: Inhibition of multi-drug resistance bacterial biofilm formation and down-regulated fim H gene","authors":"Tabarak M. Mahmood ,&nbsp;Kareem H. Jawad ,&nbsp;Majid S. Jabir","doi":"10.1016/j.nanoso.2025.101437","DOIUrl":"10.1016/j.nanoso.2025.101437","url":null,"abstract":"<div><div>Antibiotic resistance poses a significant public health concern, particularly in treating urinary tract infections (UTIs) caused by multi-drug resistant (MDR) Gram-negative bacteria. This study presents a novel approach to enhance the antibacterial activity of Gentamicin (Gent) against <em>Proteus mirabilis</em> and <em>Klebsiella pneumoniae</em> through the innovative creation of a silver nanoparticles (AgNPs) nanocomposite, termed Gent@AgNPs, using an environmentally friendly pulsed laser ablation technique. The morphology, size, and elemental composition of the silver nanoparticles (AgNPs) were examined using several analytical techniques, including (ZP.DLS, SEM, UV–vis spectroscopy, FT-IR, XRD, and TEM). The results confirmed that the hetero nanocomposite, consisting of silver nanoparticles and gentamicin, exhibited greater antimicrobial activity compared to gentamicin alone against two types of bacteria <em>P</em>. <em>mirabilis</em> and <em>K. pneumonia</em>. The mixture of silver nanoparticles with gentamicin was produced to enhance the drug delivery method to inhibit the growth of <em>K. pneumonia</em> and <em>P. mirabilis</em>, and also prevent the formation of bacterial biofilms on foley catheters. The smartly hybrid nanocomposite displayed an improvement, suggesting that in the future its potential as a viable therapeutic strategy against <em>P. mirabilis</em> and <em>K. pneumonia</em>. Additionally, it could be a promising approach to avoid the growth of bacterial biofilm formation during urinary tract infections (UTIs).</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"41 ","pages":"Article 101437"},"PeriodicalIF":5.45,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143156422","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Combined viscous dissipation and joule heating effects on chemically radiative MHD micropolar flow with heat source and convective boundary conditions","authors":"Jayaramireddy Konda ,&nbsp;M.Narendranadh Reddy ,&nbsp;Charankumar Ganteda ,&nbsp;Rajyalakshmi Kottapalli ,&nbsp;Y. Adinarayana ,&nbsp;Vediyappan Govindan ,&nbsp;Haewon Byeon ,&nbsp;Busayamas Pimpunchat","doi":"10.1016/j.nanoso.2025.101434","DOIUrl":"10.1016/j.nanoso.2025.101434","url":null,"abstract":"<div><div>The proposed study presents a comprehensive investigation of the combined effects of viscous dissipation and Joule heating on chemically reactive magnetohydrodynamic (MHD) micropolar fluid flow over a nonlinear stretching sheet, incorporating the influences of radiative heat transfer, heat source, and convective boundary conditions. The current study investigates the flow of a type of fluid called micropolar fluid in a stretched 2D space. This fluid is viscous, and the flow is influenced by convective boundary conditions. Mathematical equations are derived considering factors such as heat, friction, electrical effects, chemical reactions, and radiation heat transfer. The fluid can conduct electricity when exposed to an external magnetic field. The complex partial differential equations governing the boundary layer flow are simplified into ordinary differential equations using a technique known as similarity transformation. The problem is solved using the Runge-Kutta-Fehlberg method with a shooting technique. Graphs are generated to analyze how physical factors influence temperature and concentration profiles. The skin friction coefficient, local Nusselt number, and local Sherwood number are calculated and studied. In this study, we compare our results with those of other research and find good agreement.</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"41 ","pages":"Article 101434"},"PeriodicalIF":5.45,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143156677","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Biomineralization of calcium phosphates in nature","authors":"Oxana V. Kharissova ,&nbsp;Yolanda Peña Méndez ,&nbsp;Boris I. Kharisov ,&nbsp;Alexander L. Nikolaev ,&nbsp;Sergei V. Dorozhkin ,&nbsp;Deyani Nocedo Mena ,&nbsp;Beatriz Ortega García","doi":"10.1016/j.nanoso.2024.101425","DOIUrl":"10.1016/j.nanoso.2024.101425","url":null,"abstract":"<div><div>The biomineralization processes of calcium phosphates (CaPs) in nature (animals, vegetation in the land and sea, fossilization during geological periods) are reviewed. As a result of the biomineralization processes in nature, several biominerals (about 60; inorganic solids generated by a huge variety of organisms resulting stiffen and harden mineralized tissues) are formed, including CaPs. CaP biomineralization is driven with aid of several biomolecules, present in microbes, mammals, and vegetation. Proteins, such as soluble noncollagenous proteins and insoluble collagen, possess enhanced biomineralization activity within the organic matrix, being involved in teeth and bone formation. The biomineralization is frequently the first stage of fossilization (preservation of life traces in the geological record). A description of apatites and CaPs formed as a result of biomineralization, its types, steps, models, mechanisms, and controlling factors are described. Proteins and phosphates involved in biomineralization, role of species of distinct nature and pH, biomineralized composites, influence of presenting carbonates, organic and biological molecules and species are discussed. Several applications of biomineralized CaPs are presented.</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"41 ","pages":"Article 101425"},"PeriodicalIF":5.45,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143100761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metamaterials for electromagnetic wave manipulation: Advancements and future prospects","authors":"Md. Aminul Islam ,&nbsp;Md. Jahid Hasan ,&nbsp;Md. Shakil Chowdhury ,&nbsp;Jubaraz Ghosh ,&nbsp;Md Hosne Mobarak","doi":"10.1016/j.nanoso.2024.101424","DOIUrl":"10.1016/j.nanoso.2024.101424","url":null,"abstract":"<div><div>Metamaterials, with their unique ability to alter electromagnetic waves, have ushered in a new era of scientific and technological advancements. By exerting precise control over the behaviour of waves, these materials provide revolutionary applications, such as improved imaging, sensing, and communication systems. By utilizing sophisticated production processes such as nanofabrication methods and additive manufacturing, scientists can create metamaterials with exceptional accuracy at the nanoscale. This enables the practical application of these materials in various industries. Nevertheless, despite their excellent capacity, metamaterials encounter substantial obstacles, such as scalability concerns, intricate fabrication processes, and material degradation. However, current research endeavors, especially in interdisciplinary domains, present hopeful resolutions to surmount these obstacles, facilitating groundbreaking progress in domains like 5G technology, telecommunications, and medical imaging. This review study provides a complete analysis of recent accomplishments, problems, and probable future directions in metamaterial research. It offers insights into how nanotechnology addresses challenges and influences the field of electromagnetic manipulation.</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"41 ","pages":"Article 101424"},"PeriodicalIF":5.45,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143100762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural-morphological and adsorption properties of hollow balls of oxidized graphene obtained by auto-combustion of saccharose","authors":"Ivan Mironyuk ,&nbsp;Jean-Claude Grivel ,&nbsp;Hanna Vasylyeva ,&nbsp;Elif Coşkun ,&nbsp;Igor Mykytyn ,&nbsp;Volodymyr Mandzyuk","doi":"10.1016/j.nanoso.2025.101462","DOIUrl":"10.1016/j.nanoso.2025.101462","url":null,"abstract":"<div><div>In this work, the atomic structure and morphology of the carbon material obtained by self-combustion of the composite mixture of saccharose (52 <em>wt.</em>, %), potassium nitrate (44 <em>wt.</em>, %), and sulfur (4 <em>wt.</em>, %) were investigated. The proposed mechanisms for sample formation are as follows. Hollow balls of oxidized graphene are created due to the action of pyrolysis gases (vapor H₂O, CO₂). Further carbonization of the bubble shells leads to the formation of hollow carbon particles with a diameter of (10−100) nm and (300–3500) nm. Individual carbon atoms in graphene are oxidized to groups <img>C-OH, -СООН, and –ОСООН during auto combustion. Another oxidation pathway of carbon atoms is carried out with the participation of KNO₃. The N^5 + cations of this compound are converted into N₂ molecules by electrons captured from carbon atoms. Carbon atoms, oxidized in this way, transform into the =C²⁺ cations and attach O^2- anions. The obtained material was investigated using XRD, FTIR, XPS, Raman, and TG/DTG/DTA analysis. Also, the surface area and porous size distribution were measured using low-temperature N₂ adsorption/desorption isotherm. The oxidized state of carbon atoms in the graphene structure performs its new valuable properties, such as adsorption properties. The oxidized graphene can bind halogen anions in an aqueous medium. The kinetics of adsorption of iodine anions from the KI solution, equilibrium adsorption, and dependence of adsorption on pH were experimentally studied. The Elovic and diffusion kinetic models, Lagergren's models based on pseudo-first and pseudo-second-order equations, and the Langmuir-Hinshelwood kinetic model were applied to the obtained results. Equilibrium adsorption was analyzed using the theories of Langmuir, Freundlich, and Henry. The supposed mechanism is related to forming adsorption centers =C²⁺O^2-. The number of adsorption centers was quantified for the first time. It was found that the surface of oxidized graphene with an area of 10 nm² contains ∼ 24 groups = C²⁺O^2-, which can exchange O^2- anions, for example, for halogen anions. Hollow balls of carbon adsorbent can adsorb 618 mg∙g⁻¹ iodine anions from the aqueous solutions, which is a unique result since most carbon adsorbents and MOFs adsorb only molecular iodine.</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"41 ","pages":"Article 101462"},"PeriodicalIF":5.45,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143509303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of copper nanowires and facile fabrication of nanostructured conductors with high transparency in 400–2500 nm spectral range","authors":"Pavel V. Arsenov ,&nbsp;Konstantin S. Pilyushenko ,&nbsp;Polina S. Mikhailova ,&nbsp;Mikhail A. Atlanov ,&nbsp;Maksim A. Popov ,&nbsp;Nikolay P. Simonenko ,&nbsp;Tatiana L. Simonenko ,&nbsp;Ivan S. Vlasov ,&nbsp;Ivan A. Volkov","doi":"10.1016/j.nanoso.2024.101429","DOIUrl":"10.1016/j.nanoso.2024.101429","url":null,"abstract":"<div><div>We studied the effect of parameters of a hydrothermal synthesis of copper nanowires on their dimensional characteristics. A robust protocol for the synthesis and isolation of copper nanowires with an average diameter of about 60 nm and a length of about 90 μm was developed. The final dispersion enriched with target nanowires purified from low-volatile oleylamine involved in the synthesis was used to fabricate transparent conductive films by spin coating. To increase the conductivity of the films, the rapid and efficient technique of removing the native oxide shell of nanowires utilizing the solution of formic acid in isopropyl alcohol was proposed. The fabricated transparent conductors have record-breaking characteristics: light transmittance of about 93 % (at a wavelength of 550 nm) with the sheet resistance of about 34 Ohm/sq. An important point is that the transmittance of the films with sheet resistance down to 30 Ohm/sq. exceeds 90 % in the wide spectral range (400–2500 nm), thus opening up great opportunities for applications of such nanomaterials in optoelectronics.</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"41 ","pages":"Article 101429"},"PeriodicalIF":5.45,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143100760","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced hydrogen evolution activity and magnetic/electrodynamic properties of Fe/Bi co-doped nano CoNiV spinel oxides","authors":"Refah S. Alkhaldi ,&nbsp;Munirah A. Almessiere ,&nbsp;A. Hossan ,&nbsp;A. Baykal ,&nbsp;S. Caliskan ,&nbsp;Ram H. Kadam ,&nbsp;Y. Slimani ,&nbsp;Mohammed A. Gondal ,&nbsp;E. Cevik ,&nbsp;Sagar E. Shirsath","doi":"10.1016/j.nanoso.2025.101457","DOIUrl":"10.1016/j.nanoso.2025.101457","url":null,"abstract":"<div><div>In this study, Fe/Bi co-doped CoNiV nano spinel oxides (Co_0.5Ni_0.5Fe_xBi_xV_2–2xO₄ (x ≤ 0.040) NSOs) were synthesized through a hydrothermal approach. Employing M-H curves at 300 K (Room temperature, RT) and 10 K, magnetic properties of Fe/Bi doped CoNiV (x ≤ 0.040) NSOs are examined. It is observed that they possess paramagnetic and superparamagnetic nature at RT and 10 K, respectively. Substitution of V atoms with Fe/Bi yields fluctuations of magnetic parameters (with a maximum at x = 0.030) with growing doping content at 10 K. The accompanying saturation magnetization (Ms) at 10 K is estimated through the Langevin function, giving rise to the highest (lowest) M_s value at x = 0.030 (0.000, undoped NSOs). Our findings demonstrate that magnetic characteristics of Fe/Bi doped CoNiV (x ≤ 0.040) NSOs can be adjusted by controlling Fe/Bi dopants. The electrocatalyst Fe/Bi doped CoNiV (x = 0.04)@CS nanoelectrocatalyst demonstrated notable performance in the HER, with an overpotential of 271 mV, a Tafel slope of 131.07 mV/dec, and remarkable stability up to 20 h using chronopotentiometry methods. The surface and electrochemical analyses demonstrated that the sample, which underwent dual doping with 4.0 % Fe⁺³ and 4.0 % Bi⁺³ concentrations, had enhanced performance in the HER. Additionally, electromagnetic studies revealed superior EMI shielding effectiveness (SET), with the x = 0.03 composition achieving ∼30 dB over a broad frequency range. These results establish Fe/Bi doping as an effective strategy to tailor structural, magnetic, electrochemical, and EMI shielding properties, highlighting its multifunctional potential.</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"41 ","pages":"Article 101457"},"PeriodicalIF":5.45,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444694","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical study of thermal performance of silica-aerogel/paraffin nanostructure in the presence of CuO nanoparticles: A molecular dynamics approach","authors":"Ali B.M. Ali ,&nbsp;Rasha Abed Hussein ,&nbsp;Shahram Babadoust ,&nbsp;Narinderjit Singh Sawaran Singh ,&nbsp;Soheil Salahshour ,&nbsp;Sh. Baghaei","doi":"10.1016/j.nanoso.2025.101435","DOIUrl":"10.1016/j.nanoso.2025.101435","url":null,"abstract":"<div><div>The rise in air pollution and fuel costs increased the use of various renewable energy options. Currently, scientists face a significant challenge. Finding methods to store energy that can be easily converted is crucial. There is growing interest in using phase change materials for thermal energy storage systems. This interest stems from their ability to conserve energy and reduce air pollution. Silica aerogel effectively maintains the temperature of items over long periods. Phase change materials, recognized for storing thermal energy, are now favored for preserving both hot and cold temperatures. This study aimed to use computer simulations to understand the behavior of silica aerogel/PCM and CuO nanoparticles in a cube. The results show that the nanostructure can achieve a velocity of 0.0086 Å/fs and had a thermal conductivity of 1.85 W/m·K. These findings may have practical applications in heating and cooling systems, energy storage, and the aerospace industry.</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"41 ","pages":"Article 101435"},"PeriodicalIF":5.45,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143156680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of MWCNTs for successive polymeric and nano modification of a Nigerian bitumen, optimization using response surface methodology","authors":"Salawudeen Taofeeq Olalekan ,&nbsp;Arinkoola Akeem Olatunde ,&nbsp;Salam Kazeem kolapo ,&nbsp;Jimoh Monsurat Omolola ,&nbsp;Ogunkunle Samuel Akinlolu ,&nbsp;Akinrinsa Samuel Damilare ,&nbsp;Olufayo Augustina Olukemi ,&nbsp;Ayanshola Ayanniyi Mufutau ,&nbsp;Ogunleye Oladipupo Olaosebikan ,&nbsp;Abdulkareem Ambali Saka","doi":"10.1016/j.nanoso.2025.101444","DOIUrl":"10.1016/j.nanoso.2025.101444","url":null,"abstract":"<div><div>Polyethylene (PE) is attractive as a bitumen modifier for several reasons, the most important of which is cost. However, polymeric bitumen is highly sensitive to PE dosages and suffers thermal degradation. To develop a tougher, more ductile crack-resistant binder, a ternary mixture was formulated using PE-modified binder and Multi-Wall Carbon Nanotubes (MWCNTs). The conventional properties of PE-modified bitumen were optimized using a mixture design and Response Surface Methodology (RSM). MWCNTs (0.1 – 0.3 wt%), mixing time (20 – 40 min) and speed (1000 – 15000 rpm) were considered for ternary modification at 140 °C. The softening and penetration points as well as ductility were used to determine the best mix. MWCNT was synthesized using a carbon vapour deposition method and characterized using Transmission Electron Microscopy (TEM), which indicates cylindrical-shaped CNT with numerous walls; Thermogravimetric Analysis (TGA) indicates crystalline graphitic carbon with a weight loss of 25.96 %; X-ray Diffraction (XRD), which indicates graphene-like layers of tube walls at 2θ values of 25.89° and 44.53°. Brunauer-Emmett Teller (BET) shows surface area, pore size and pore volume of 0.62 m²/g, 15.91 nm and 0.00362 cm³/g, respectively. The developed models for the modified bitumen are predictive (R² greater than or equals to 0.94). The optimum mix design for polymeric bitumen was 4.07 wt% PE, and 95.83 wt% bitumen and 0.1 wt% MWCNT, 1500 rpm mixing speed and 37.7 min for the ternary bitumen. The relatively small absolute relative error between experimental and simulation indicated the reliability of the final models with a combined desirability of 0.77 – 0.87.</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"41 ","pages":"Article 101444"},"PeriodicalIF":5.45,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143156684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}