Pub Date : 2025-12-19DOI: 10.1016/j.matchemphys.2025.131955
Muhammad Saqaf Jagirani , Muhammad Mehboob , Ume Hafsa , Aamna Balouch , Pirah Panah , Esra Alveroglu , Komal Shah , Salman Khan , Aftab Hussain Khuhawar
This study reports a phytofabrication technique to synthesize bimetallic Silver/Nickel nanoparticles using Bombax Ceiba Plant extract (BC@Ag/Ni BMNPs). Designed a nanocatalyst evaluated for dual catalytic application (i) degradation of 4-nitrophenol and (ii) antimicrobial activity against Gram-positive and Gram-negative microorganisms. To examine the functionality, texture, morphology, contents of elements, magnitude, and electrostatic properties of prepared BC@Ag/Ni BMNPs using different analytical techniques, including FTIR, XRD, FESEM, EDX, and Zeta potential. Various parameters have been used to degrade 4-nitrophenol, such as reducing agent concentration and volume, reaction time, dose of BC@Ag/Ni BMNPs, and 4-nitrophenol concentration. After optimization, the BC@Ag/Ni BMNPs achieved 99 % efficiency in 60 s using 120 μg of material. The results demonstrate that this catalytic reaction followed the Langmuir-Hinshelwood kinetic mechanism. The antimicrobial activity against S. aureus, E. coli, and A. niger was evaluated and found promising results. The phytofebricate BC@Ag/Ni BMNPs nanocatalyst exhibits excellent catalytic and antimicrobial activity, making it suitable for protecting the aquatic environment from pollution caused by organic toxins and microbial activity.
{"title":"Dual-functional Phytofabricated Ag/Ni bimetallic nanocatalyst: Highly active nanomaterial for microwave-assisted degradation of 4-nitrophenol and antimicrobial activity","authors":"Muhammad Saqaf Jagirani , Muhammad Mehboob , Ume Hafsa , Aamna Balouch , Pirah Panah , Esra Alveroglu , Komal Shah , Salman Khan , Aftab Hussain Khuhawar","doi":"10.1016/j.matchemphys.2025.131955","DOIUrl":"10.1016/j.matchemphys.2025.131955","url":null,"abstract":"<div><div>This study reports a phytofabrication technique to synthesize bimetallic Silver/Nickel nanoparticles using <em>Bombax Ceiba</em> Plant extract (BC@Ag/Ni BMNPs). Designed a nanocatalyst evaluated for dual catalytic application (i) degradation of 4-nitrophenol and (ii) antimicrobial activity against Gram-positive and Gram-negative microorganisms. To examine the functionality, texture, morphology, contents of elements, magnitude, and electrostatic properties of prepared BC@Ag/Ni BMNPs using different analytical techniques, including FTIR, XRD, FESEM, EDX, and Zeta potential. Various parameters have been used to degrade 4-nitrophenol, such as reducing agent concentration and volume, reaction time, dose of BC@Ag/Ni BMNPs, and 4-nitrophenol concentration. After optimization, the BC@Ag/Ni BMNPs achieved 99 % efficiency in 60 s using 120 μg of material. The results demonstrate that this catalytic reaction followed the Langmuir-Hinshelwood kinetic mechanism. The antimicrobial activity against <em>S. aureus, E. coli,</em> and <em>A. niger was evaluated and found</em> promising results. The phytofebricate BC@Ag/Ni BMNPs nanocatalyst exhibits excellent catalytic and antimicrobial activity, making it suitable for protecting the aquatic environment from pollution caused by organic toxins and microbial activity.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131955"},"PeriodicalIF":4.7,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842513","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}
Pub Date : 2025-12-19DOI: 10.1016/j.matchemphys.2025.131968
Daoben Zheng , Chen Yu , Xinbin Chen , Ning Lin
Three nicotine salts (NSs) were synthesized through the reaction of nicotine (Nic) with various organic acids. The volatility of Nic and NS was evaluated by mass loss tests, providing a preliminary assessment of their longevity as the volatile corrosion inhibitor (VCI). The anti-corrosion effect of Nic and NS for mild steel corrosion in simulated atmospheric corrosion solution has been investigated using potentiodynamic polarization and electrochemical impedance spectroscopy. All tested VCIs exhibit effective corrosion inhibition, displaying characteristics of mixed-type inhibitors. Confined space quantitative evaluation tests revealed that both Nic and NS achieved corrosion inhibition efficiency exceeding 80 % under atmospheric corrosion conditions. Additionally, the VCI paper prepared with nicotine decanoate can provide more lasting and efficient protection compared with other VCI papers in volatile screening and vapor inhibiting ability tests. Scanning electron microscopy and contact angle analyses suggested that the better performance may be attributed to the influence of alkane chains, which change the hydrophobicity of the mild steel surface more significantly. Adsorption of the Nic on mild steel surfaces in SACS followed the Langmuir adsorption isotherm, and quantum chemical calculations have demonstrated that Nic and NS can spontaneously adsorb to the surface of the mild steel as effective VCI.
{"title":"Electrochemical analysis and molecular simulation of plant-based nicotine derivatives as volatile corrosion inhibitor for mild steel protection","authors":"Daoben Zheng , Chen Yu , Xinbin Chen , Ning Lin","doi":"10.1016/j.matchemphys.2025.131968","DOIUrl":"10.1016/j.matchemphys.2025.131968","url":null,"abstract":"<div><div>Three nicotine salts (NSs) were synthesized through the reaction of nicotine (Nic) with various organic acids. The volatility of Nic and NS was evaluated by mass loss tests, providing a preliminary assessment of their longevity as the volatile corrosion inhibitor (VCI). The anti-corrosion effect of Nic and NS for mild steel corrosion in simulated atmospheric corrosion solution has been investigated using potentiodynamic polarization and electrochemical impedance spectroscopy. All tested VCIs exhibit effective corrosion inhibition, displaying characteristics of mixed-type inhibitors. Confined space quantitative evaluation tests revealed that both Nic and NS achieved corrosion inhibition efficiency exceeding 80 % under atmospheric corrosion conditions. Additionally, the VCI paper prepared with nicotine decanoate can provide more lasting and efficient protection compared with other VCI papers in volatile screening and vapor inhibiting ability tests. Scanning electron microscopy and contact angle analyses suggested that the better performance may be attributed to the influence of alkane chains, which change the hydrophobicity of the mild steel surface more significantly. Adsorption of the Nic on mild steel surfaces in SACS followed the Langmuir adsorption isotherm, and quantum chemical calculations have demonstrated that Nic and NS can spontaneously adsorb to the surface of the mild steel as effective VCI.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131968"},"PeriodicalIF":4.7,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842557","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}
Pub Date : 2025-12-19DOI: 10.1016/j.matchemphys.2025.131963
Kamlesh V. Chandekar , Akash Kapse , Shamal Chinke , Mohd Shkir , Kartikey J. Chavan , Shashank S. Kamble , Arjun R. Potinde
Silver (Ag) coated CoFe2O4 (CF), NiFe2O4 (NF), and ZnFe2O4 (ZF) quantum dots (QD) were synthesized by the co-precipitation route. Phase analysis, structural, and spectroscopic properties of Ag: CoFe2O4 (Ag:CF), Ag: NiFe2O4, (Ag:NF), and Ag: ZnFe2O4 (Ag: ZF) MNPs were examined by X-ray diffraction (XRD) and Raman spectroscopy. The spherical shape morphology with the particle size of 9.25 ± 0.15, 5.13 ± 0.03, and 5.46 ± 0.08 nm for Ag:CF, Ag:NF, and Ag: ZF MNPs, respectively were determined by high-resolution transmission electron microscopy (HRTEM). The respective oxidation states of Co, Ni, Zn, Fe, O, and Ag metals in the prepared MNPs were determined by X-ray photoelectron spectroscopy (XPS). The saturation magnetization of 58.65, 46.01, and 47.31 (emu/g), remanent magnetization of 9.91, 1.46, 0.972 (emu/g), and coercive field of 518, 36, and 18 Oe for Ag-coated CF, NF and ZF NPs was determined by M − H hysteresis at ± 7 T. M-T spectra examined the blocking temperature less than 300K at 100 Oe for Ag: CF, Ag: NF, and Ag: ZF MNPs, respectively. The prepared quantum dots for Ag: MFe2O4 (M = Co, Ni, Zn) NCs exhibiting superparamagnetic (SP) property can be employed for the treatment of different diseases. The anticancer activity of Ag: MFe2O4 (M = Co,Ni,Zn) NPs in various concentrations (5, 10, 20, 40, 80, and 160 μg/mL) were employed against MDA-MD 231, and MCF-7 cell lines respectively. At low dose (5 μg/mL), the Ag:CF, Ag:NF, Ag: ZF NPs exhibited cell viability 69.49 %, 59.16 %, and 63.23 %, respectively compared to 10, 20, 40, 80, and 160 μg/mL for MDA-MD 231 cell line. At dose of (20 μg/mL), the Ag:CF, and Ag: ZF NPs exhibited cell viability 86.53 %, and 69.35 %, respectively compared to 5, 10, 40, 80, and 160 μg/mL for MCF-7 cell line. Ag: NF NPs exhibited cell viability 72.04 % at dose of 10 (μg/mL) compared to other concentrations for MCF-7 cell line. MTT assay of prepared NPs exhibits Ag: MF NCs more cytotoxic compared to positive control, suggesting potential applications as a drug carrier.
The anticancer activity of Ag: CF, Ag:NF, and Ag: ZF NCs samples created in 10, 20, 40 and 80 μg/mL contents against the MCF-7 cell line were analyzed using SRB assay. Ag: ZF, Ag:NF, and Ag:NF NPs samples at the 20 μg/mL provide more cytotoxic effect against MCF-7 cells and indicate as a significant drug carrier in the treatment of Breast cancer.
{"title":"Impact of Ag coated CoFe2O4, NiFe2O4, and ZnFe2O4 quantum dots synthesized by co-precipitation route for anticancer activity against MDA-MB 231 and MCF-7 breast cancer cell lines","authors":"Kamlesh V. Chandekar , Akash Kapse , Shamal Chinke , Mohd Shkir , Kartikey J. Chavan , Shashank S. Kamble , Arjun R. Potinde","doi":"10.1016/j.matchemphys.2025.131963","DOIUrl":"10.1016/j.matchemphys.2025.131963","url":null,"abstract":"<div><div>Silver (Ag) coated CoFe<sub>2</sub>O<sub>4</sub> (CF), NiFe<sub>2</sub>O<sub>4</sub> (NF), and ZnFe<sub>2</sub>O<sub>4</sub> (ZF) quantum dots (QD) were synthesized by the co-precipitation route. Phase analysis, structural, and spectroscopic properties of Ag: CoFe<sub>2</sub>O<sub>4</sub> (Ag:CF), Ag: NiFe<sub>2</sub>O<sub>4</sub>, (Ag:NF), and Ag: ZnFe<sub>2</sub>O<sub>4</sub> (Ag: ZF) MNPs were examined by X-ray diffraction (XRD) and Raman spectroscopy. The spherical shape morphology with the particle size of 9.25 ± 0.15, 5.13 ± 0.03, and 5.46 ± 0.08 nm for Ag:CF, Ag:NF, and Ag: ZF MNPs, respectively were determined by high-resolution transmission electron microscopy (HRTEM). The respective oxidation states of Co, Ni, Zn, Fe, O, and Ag metals in the prepared MNPs were determined by X-ray photoelectron spectroscopy (XPS). The saturation magnetization <span><math><mrow><mi>M</mi><mi>s</mi></mrow></math></span> of 58.65, 46.01, and 47.31 (emu/g), remanent magnetization <span><math><mrow><mi>M</mi><mi>r</mi></mrow></math></span> of 9.91, 1.46, 0.972 (emu/g), and coercive field <span><math><mrow><mi>H</mi><mi>c</mi></mrow></math></span> of 518, 36, and 18 Oe for Ag-coated CF, NF and ZF NPs was determined by M − H hysteresis at ± 7 T. M-T spectra examined the blocking temperature less than 300K at 100 Oe for Ag: CF, Ag: NF, and Ag: ZF MNPs, respectively. The prepared quantum dots for Ag: MFe<sub>2</sub>O<sub>4</sub> (M = Co, Ni, Zn) NCs exhibiting superparamagnetic (SP) property can be employed for the treatment of different diseases. The anticancer activity of Ag: MFe<sub>2</sub>O<sub>4</sub> (M = Co,Ni,Zn) NPs in various concentrations (5, 10, 20, 40, 80, and 160 μg/mL) were employed against MDA-MD 231, and MCF-7 cell lines respectively. At low dose (5 μg/mL), the Ag:CF, Ag:NF, Ag: ZF NPs exhibited cell viability 69.49 %, 59.16 %, and 63.23 %, respectively compared to 10, 20, 40, 80, and 160 μg/mL for MDA-MD 231 cell line. At dose of (20 μg/mL), the Ag:CF, and Ag: ZF NPs exhibited cell viability 86.53 %, and 69.35 %, respectively compared to 5, 10, 40, 80, and 160 μg/mL for MCF-7 cell line. Ag: NF NPs exhibited cell viability 72.04 % at dose of 10 (<em>μ</em>g/mL) compared to other concentrations for MCF-7 cell line. MTT assay of prepared NPs exhibits Ag: MF NCs more cytotoxic compared to positive control, suggesting potential applications as a drug carrier.</div><div>The anticancer activity of Ag: CF, Ag:NF, and Ag: ZF NCs samples created in 10, 20, 40 and 80 μg/mL contents against the MCF-7 cell line were analyzed using SRB assay. Ag: ZF, Ag:NF, and Ag:NF NPs samples at the 20 μg/mL provide more cytotoxic effect against MCF-7 cells and indicate as a significant drug carrier in the treatment of Breast cancer.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131963"},"PeriodicalIF":4.7,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145799679","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}
Pub Date : 2025-12-19DOI: 10.1016/j.matchemphys.2025.131961
Suchitra Puthran , A.N. Prabhu , Ting-Hsuan Lai , Y.K. Kuo
This study investigates the structural and thermoelectric properties of intrinsic p-type Bi2Te3 and (Bi1-xGex)2T2·7Se0.3 single crystals, which were synthesized using a modified vertical Bridgman technique. X-ray diffraction analysis confirmed the formation of single-phase Bi2Te3 and validated the optimized substitution of Ge and Se. The doped samples exhibited reduced thermal conductivity compared to the undoped counterpart, primarily due to enhanced phonon scattering mechanisms. Electrical transport measurements revealed that the enhancement in the thermoelectric figure of merit (ZT) is driven by reduced thermal conductivity, resulting from increased phonon scattering at grain boundaries and defects. In the sample with x = 0.04, a 2.3-fold reduction in thermal conductivity was observed, which led to approximately a 3-fold enhancement in the power factor (5394 μW/m·K2) and a 3.9-fold increase in ZT value (0.67) compared to the pristine sample at 350 K. Consequently, a fourfold enhancement in the ZT value of ∼0.7 at 350 K was achieved for (Bi0.94Ge0.06)2Te2·7Se0.3, due to a 5.6-fold reduction in electrical resistivity compared to Bi2Te3. These findings highlight the potential of Ge/Se co-doping and melt-growth synthesis in developing advanced thermoelectric materials.
{"title":"Boosting thermoelectric performance in Bi2Te3 crystals by Ge/Se co-doping and melt-growth synthesis","authors":"Suchitra Puthran , A.N. Prabhu , Ting-Hsuan Lai , Y.K. Kuo","doi":"10.1016/j.matchemphys.2025.131961","DOIUrl":"10.1016/j.matchemphys.2025.131961","url":null,"abstract":"<div><div>This study investigates the structural and thermoelectric properties of intrinsic p-type Bi<sub>2</sub>Te<sub>3</sub> and (Bi<sub>1-<em>x</em></sub>Ge<sub><em>x</em></sub>)<sub>2</sub>T<sub>2·7</sub>Se<sub>0.3</sub> single crystals, which were synthesized using a modified vertical Bridgman technique. X-ray diffraction analysis confirmed the formation of single-phase Bi<sub>2</sub>Te<sub>3</sub> and validated the optimized substitution of Ge and Se. The doped samples exhibited reduced thermal conductivity compared to the undoped counterpart, primarily due to enhanced phonon scattering mechanisms. Electrical transport measurements revealed that the enhancement in the thermoelectric figure of merit (<em>ZT</em>) is driven by reduced thermal conductivity, resulting from increased phonon scattering at grain boundaries and defects. In the sample with <em>x</em> = 0.04, a 2.3-fold reduction in thermal conductivity was observed, which led to approximately a 3-fold enhancement in the power factor (5394 μW/m·K<sup>2</sup>) and a 3.9-fold increase in <em>ZT</em> value (0.67) compared to the pristine sample at 350 K. Consequently, a fourfold enhancement in the <em>ZT</em> value of ∼0.7 at 350 K was achieved for (Bi<sub>0.94</sub>Ge<sub>0.06</sub>)<sub>2</sub>Te<sub>2·7</sub>Se<sub>0.3</sub>, due to a 5.6-fold reduction in electrical resistivity compared to Bi<sub>2</sub>Te<sub>3</sub>. These findings highlight the potential of Ge/Se co-doping and melt-growth synthesis in developing advanced thermoelectric materials.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131961"},"PeriodicalIF":4.7,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842560","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}
Pub Date : 2025-12-19DOI: 10.1016/j.matchemphys.2025.131965
Hang Yin , Xinyu Cai , Li Li , Yinfeng Hua , Lili Yan , Runkai Wang , Pinhua Rao
Superhydrophilic-superoleophobic membranes are of great value for oil-water separation. Most studies have concentrated on the superhydrophilic-underwater superoleophobic properties of membranes. Air superhydrophilic-superoleophobic membranes feature excellent resistance to oil contamination and do not require pre-wetting with water prior to their application in oil-water separation, thus holding more promising prospects in this field. This study utilized two fluorine-containing materials, fluorosurfactant (Capstone FS-50, DuPont) and perfluorooctanoic acid sodium salt (PFOA-Na), along with TiO2 nanoparticles, to fabricate air superhydrophilic-superoleophobic SiC (HiOo-SiC) membranes successfully. The resulting HiOo-SiC membrane displayed a lower water contact angle (4.1°) and a higher oil contact angle (170.8°) compared to the original SiC membrane, indicating exceptional air superhydrophilic-superoleophobic properties. Additionally, the HiOo-SiC membranes exhibited significantly lower adhesion to oil droplets than SiC membranes modified by either Capstone FS-50 or PFOA-Na alone, which is advantageous for mitigating membrane fouling and thereby improving oil-water separation performance. This attribute may be attributed to the higher surface free energy and roughness of the HiOo-SiC membrane. Furthermore, the HiOo-SiC membrane had smaller pore sizes ranging from 40 to 60 nm due to the incorporation of TiO2 nanoparticles, which were 9–13.5 times smaller than those of the original SiC membrane. The small pore size, high air superhydrophilic-superoleophobic properties, and low oil adhesion of the HiOo-SiC membrane led to a notable enhancement in the oil-water separation efficiency of emulsions, increasing from 94.15 % to 99.61 % for edible oil-in-water emulsions and from 26.4 % to 89.2 % for hexadecane-in-water emulsions, demonstrating remarkable capabilities in separating oil-in-water emulsions.
{"title":"The preparation and application of air superhydrophilic-superoleophobic SiC membrane with low adhesion to oil","authors":"Hang Yin , Xinyu Cai , Li Li , Yinfeng Hua , Lili Yan , Runkai Wang , Pinhua Rao","doi":"10.1016/j.matchemphys.2025.131965","DOIUrl":"10.1016/j.matchemphys.2025.131965","url":null,"abstract":"<div><div>Superhydrophilic-superoleophobic membranes are of great value for oil-water separation. Most studies have concentrated on the superhydrophilic-underwater superoleophobic properties of membranes. Air superhydrophilic-superoleophobic membranes feature excellent resistance to oil contamination and do not require pre-wetting with water prior to their application in oil-water separation, thus holding more promising prospects in this field. This study utilized two fluorine-containing materials, fluorosurfactant (Capstone FS-50, DuPont) and perfluorooctanoic acid sodium salt (PFOA-Na), along with TiO<sub>2</sub> nanoparticles, to fabricate air superhydrophilic-superoleophobic SiC (HiOo-SiC) membranes successfully. The resulting HiOo-SiC membrane displayed a lower water contact angle (4.1°) and a higher oil contact angle (170.8°) compared to the original SiC membrane, indicating exceptional air superhydrophilic-superoleophobic properties. Additionally, the HiOo-SiC membranes exhibited significantly lower adhesion to oil droplets than SiC membranes modified by either Capstone FS-50 or PFOA-Na alone, which is advantageous for mitigating membrane fouling and thereby improving oil-water separation performance. This attribute may be attributed to the higher surface free energy and roughness of the HiOo-SiC membrane. Furthermore, the HiOo-SiC membrane had smaller pore sizes ranging from 40 to 60 nm due to the incorporation of TiO<sub>2</sub> nanoparticles, which were 9–13.5 times smaller than those of the original SiC membrane. The small pore size, high air superhydrophilic-superoleophobic properties, and low oil adhesion of the HiOo-SiC membrane led to a notable enhancement in the oil-water separation efficiency of emulsions, increasing from 94.15 % to 99.61 % for edible oil-in-water emulsions and from 26.4 % to 89.2 % for hexadecane-in-water emulsions, demonstrating remarkable capabilities in separating oil-in-water emulsions.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131965"},"PeriodicalIF":4.7,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842615","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}
Pub Date : 2025-12-19DOI: 10.1016/j.matchemphys.2025.131969
Mengjun Liu , Shouren Wang , Yang Li , Mingyang Du , Zhuang Zhang , Zhiqun Zhou
Aluminum alloys have garnered significant attention and favor across multiple application fields owing to their excellent superhydrophobic properties. This paper focuses on the development of novel aluminum alloys, utilizing laser cladding technology to prepare the Al–15Si–5Cu–5Mg–2Mn–xCNTs alloy. Microstructure analysis results indicate that a large number of intermetallic compounds precipitate in the cladding layers. In the microscopic regions of alloys with added carbon nanotubes (CNTs), the grains are significantly refined, which is mainly attributed to the nucleation and pinning effects exerted by CNTs. Wear tests demonstrate that the introduction of intermetallic compound frameworks reduces the wear rate and friction coefficient of the Al–15Si–5Cu–5Mg–2Mn alloy while significantly enhancing its wear resistance. Adding an appropriate amount of CNTs synergistically lowers the wear rate and alters the wear mechanism, with optimal performance observed at a CNT content of 0.4 wt%. CNTs facilitate effective stress transfer within the coating, enabling uniform distribution of external loads, reducing local stress concentration, and minimizing wear. The fabrication of superhydrophobic surfaces primarily involves selective etching to expose precipitate phases with diverse geometric configurations on alloy substrates, thereby constructing micro/nanocomposite structures. Subsequently, after modification with fluorosilane materials, a robust surface with long-lasting stability and excellent corrosion resistance is achieved, with superhydrophobic functionality derived from the precipitated phases (PPAS) of Al–Si alloys. This study provides novel insights and methodologies for the surface modification and performance enhancement of aluminum alloys.
{"title":"Study on the effect of CNTs content on the formation and properties of superhydrophobic surfaces in Al–15Si–5Cu–5Mg–2Mn–xCNTs alloys","authors":"Mengjun Liu , Shouren Wang , Yang Li , Mingyang Du , Zhuang Zhang , Zhiqun Zhou","doi":"10.1016/j.matchemphys.2025.131969","DOIUrl":"10.1016/j.matchemphys.2025.131969","url":null,"abstract":"<div><div>Aluminum alloys have garnered significant attention and favor across multiple application fields owing to their excellent superhydrophobic properties. This paper focuses on the development of novel aluminum alloys, utilizing laser cladding technology to prepare the Al–15Si–5Cu–5Mg–2Mn–xCNTs alloy. Microstructure analysis results indicate that a large number of intermetallic compounds precipitate in the cladding layers. In the microscopic regions of alloys with added carbon nanotubes (CNTs), the grains are significantly refined, which is mainly attributed to the nucleation and pinning effects exerted by CNTs. Wear tests demonstrate that the introduction of intermetallic compound frameworks reduces the wear rate and friction coefficient of the Al–15Si–5Cu–5Mg–2Mn alloy while significantly enhancing its wear resistance. Adding an appropriate amount of CNTs synergistically lowers the wear rate and alters the wear mechanism, with optimal performance observed at a CNT content of 0.4 wt%. CNTs facilitate effective stress transfer within the coating, enabling uniform distribution of external loads, reducing local stress concentration, and minimizing wear. The fabrication of superhydrophobic surfaces primarily involves selective etching to expose precipitate phases with diverse geometric configurations on alloy substrates, thereby constructing micro/nanocomposite structures. Subsequently, after modification with fluorosilane materials, a robust surface with long-lasting stability and excellent corrosion resistance is achieved, with superhydrophobic functionality derived from the precipitated phases (PPAS) of Al–Si alloys. This study provides novel insights and methodologies for the surface modification and performance enhancement of aluminum alloys.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131969"},"PeriodicalIF":4.7,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145839979","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}
Pub Date : 2025-12-19DOI: 10.1016/j.matchemphys.2025.131967
Han-Wei Chang , Chia-Hsiang Lee , Wei-Lu Wu , Sheng-Han Zheng , Kuo-Chuang Chiu , Tzu-Yu Liu , Yu-Chen Tsai
In this work, the Si–C@flake graphite heterostructure was in situ synthesized from pencil graphite and Si powder through combined carbonization and electrochemical activation processes. During synthesis, the flake graphite simultaneously functioned as a conductive substrate, current collector, and carbon source, while Si powder served as the silicon precursor. Defect and interface engineering of flake graphite via synthesis strategy promotes the formation of interconnected Si–C@flake graphite heterostructures. The resulting architecture provided a continuous conductive network, abundant electroactive sites, and strong interfacial coupling, which collectively enhanced ion/electron transport and improved charge-storage efficiency. Benefiting from these structural advantages, the Si–C@flake graphite electrode delivered a high areal capacitance of 1746.1 mF cm−2 at 1 mA cm−2 and retained 95.0 % of its initial capacitance after 3000 cycles at 32 mA cm−2 in a three-electrode configuration. Furthermore, the Si–C@flake graphite electrode was employed to assemble a solid-state symmetric supercapacitor, which exhibited excellent long-term cycling durability, maintaining 84.6 % capacitance retention after 10,000 cycles, and was capable of lighting multiple LEDs, demonstrating its strong potential for practical energy storage applications.
本文以铅笔石墨和硅粉为原料，通过炭化和电化学活化相结合的方法，原位合成了Si - C@flake石墨异质结构。在合成过程中，片状石墨同时具有导电衬底、集流器和碳源的功能，硅粉作为硅前驱体。通过合成策略对片状石墨进行缺陷和界面工程处理，促进了互连Si - C@flake石墨异质结构的形成。所得到的结构提供了一个连续的导电网络，丰富的电活性位点和强的界面耦合，这些共同增强了离子/电子传递和提高了电荷存储效率。得益于这些结构优势，Si - C@flake石墨电极在1 mA cm - 2下提供了1746.1 mF cm - 2的高面电容，并且在32 mA cm - 2下的三电极配置中，在3000次循环后保持了95.0%的初始电容。此外，Si - C@flake石墨电极被用于组装固态对称超级电容器，该电容器具有出色的长期循环耐久性，在10,000次循环后保持84.6%的电容保持率，并且能够点亮多个led，显示其在实际储能应用中的强大潜力。
{"title":"In situ synthesis of Si-C@flake graphite for solid-state symmetric supercapacitors","authors":"Han-Wei Chang , Chia-Hsiang Lee , Wei-Lu Wu , Sheng-Han Zheng , Kuo-Chuang Chiu , Tzu-Yu Liu , Yu-Chen Tsai","doi":"10.1016/j.matchemphys.2025.131967","DOIUrl":"10.1016/j.matchemphys.2025.131967","url":null,"abstract":"<div><div>In this work, the Si–C@flake graphite heterostructure was in situ synthesized from pencil graphite and Si powder through combined carbonization and electrochemical activation processes. During synthesis, the flake graphite simultaneously functioned as a conductive substrate, current collector, and carbon source, while Si powder served as the silicon precursor. Defect and interface engineering of flake graphite via synthesis strategy promotes the formation of interconnected Si–C@flake graphite heterostructures. The resulting architecture provided a continuous conductive network, abundant electroactive sites, and strong interfacial coupling, which collectively enhanced ion/electron transport and improved charge-storage efficiency. Benefiting from these structural advantages, the Si–C@flake graphite electrode delivered a high areal capacitance of 1746.1 mF cm<sup>−2</sup> at 1 mA cm<sup>−2</sup> and retained 95.0 % of its initial capacitance after 3000 cycles at 32 mA cm<sup>−2</sup> in a three-electrode configuration. Furthermore, the Si–C@flake graphite electrode was employed to assemble a solid-state symmetric supercapacitor, which exhibited excellent long-term cycling durability, maintaining 84.6 % capacitance retention after 10,000 cycles, and was capable of lighting multiple LEDs, demonstrating its strong potential for practical energy storage applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131967"},"PeriodicalIF":4.7,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787428","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}
Pub Date : 2025-12-19DOI: 10.1016/j.matchemphys.2025.131970
Jeong-Hun Jang , Gyeongwon Kim , Sehyeon Choi , Man Park
Application potentials of solid peroxides as an alternative to H2O2 are greatly limited by low peroxide content, weak reactivity, burst ROS release, and other side effects like significant pH shift and toxicity. Fabrication of peroxide nanocomposites has been a strategic approach to these problems, still suffering from a lack of the functional matrixes which enable not only solid peroxides to be stably dispersed but also their side effects to be minimized. Although silicate matrixes offer highly porous rigid networks along with substantial buffering capacity, their high affinity to metal cations hardly allowed as-syntheses of peroxide nanocomposites. This study focuses on fabrication of MgO2-silica nanocomposites via a coprecipitation route employing partial hydroxylation of peroxide precursors. Partially hydroxylated Mg cations led to successful embedding of Mg(OH)2 nanoparticles within silicate networks which allowed the subsequently peroxidated MgO2 nanoparticles in a size of a few nanometers to be highly dispersed. MgO2-silica nanocomposite evolved higher concentrations of dissolved H2O2 and O2 compared to bulk MgO2 nanoparticles. Furthermore, the embedded MgO2 nanoparticles were completely activated in water to release all of their affordable reactive oxygen species, which was not achieved with bulk MgO2. Therefore, it is evident that the as-syntheses of MgO2-silica nanocomposites would lead to a remarkable advance and expansion in the applications of solid peroxides.
{"title":"Synthesis of MgO2-silica nanocomposite for high performance of MgO2 nanoparticles","authors":"Jeong-Hun Jang , Gyeongwon Kim , Sehyeon Choi , Man Park","doi":"10.1016/j.matchemphys.2025.131970","DOIUrl":"10.1016/j.matchemphys.2025.131970","url":null,"abstract":"<div><div>Application potentials of solid peroxides as an alternative to H<sub>2</sub>O<sub>2</sub> are greatly limited by low peroxide content, weak reactivity, burst ROS release, and other side effects like significant pH shift and toxicity. Fabrication of peroxide nanocomposites has been a strategic approach to these problems, still suffering from a lack of the functional matrixes which enable not only solid peroxides to be stably dispersed but also their side effects to be minimized. Although silicate matrixes offer highly porous rigid networks along with substantial buffering capacity, their high affinity to metal cations hardly allowed as-syntheses of peroxide nanocomposites. This study focuses on fabrication of MgO<sub>2</sub>-silica nanocomposites via a coprecipitation route employing partial hydroxylation of peroxide precursors. Partially hydroxylated Mg cations led to successful embedding of Mg(OH)<sub>2</sub> nanoparticles within silicate networks which allowed the subsequently peroxidated MgO<sub>2</sub> nanoparticles in a size of a few nanometers to be highly dispersed. MgO<sub>2</sub>-silica nanocomposite evolved higher concentrations of dissolved H<sub>2</sub>O<sub>2</sub> and O<sub>2</sub> compared to bulk MgO<sub>2</sub> nanoparticles. Furthermore, the embedded MgO<sub>2</sub> nanoparticles were completely activated in water to release all of their affordable reactive oxygen species, which was not achieved with bulk MgO<sub>2</sub>. Therefore, it is evident that the as-syntheses of MgO<sub>2</sub>-silica nanocomposites would lead to a remarkable advance and expansion in the applications of solid peroxides.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131970"},"PeriodicalIF":4.7,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842558","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}
Pub Date : 2025-12-18DOI: 10.1016/j.matchemphys.2025.131945
Debopriyo Banerjee, Amlan Dutta
This study employs molecular dynamics simulations to investigate the effect of stoichiometric variations on the atomistic structure and glass-transition temperature () of ternary Cu–Zr–Al metallic glasses. A new method is proposed for more accurate estimation, offering an improvement over the conventional linear extrapolation method. Simulation results reveal that increases with Al-content, suggesting that compositional tuning can enhance glass-forming ability. Structural characterization indicates that Al atoms favor heterogeneous bonding with Cu and Zr while tending to avoid the Al–Al bonds. Coordination analysis shows that ideal icosahedral clusters are most frequently centered on the Cu and Al atoms. Detailed cluster statistics and correlation analyses demonstrate that a higher Zr-content promotes the formation of Zr-centered distorted icosahedral clusters but suppresses their Cu- and Al-centered counterparts. Surprisingly, despite being a minority element in the composition of the ternary glasses by a significant margin, it is the Al-content that shows the strongest direct correlations with most of the ideal and distorted icosahedral clusters. It emphasizes aluminum’s unique role in stabilizing the glassy structure. These findings offer new insights into the relationships among composition, structure, and properties in bulk metallic glasses and highlight the potential of guiding the compositional optimization of Cu–Zr–Al alloys for improved glass-forming ability and thermal stability.
{"title":"Interplay among composition, structure, and glass-transition in Cu–Zr–Al glassy alloys revealed through atomistic data analytics","authors":"Debopriyo Banerjee, Amlan Dutta","doi":"10.1016/j.matchemphys.2025.131945","DOIUrl":"10.1016/j.matchemphys.2025.131945","url":null,"abstract":"<div><div>This study employs molecular dynamics simulations to investigate the effect of stoichiometric variations on the atomistic structure and glass-transition temperature (<span><math><msub><mrow><mi>T</mi></mrow><mrow><mi>g</mi></mrow></msub></math></span>) of ternary Cu–Zr–Al metallic glasses. A new method is proposed for more accurate <span><math><msub><mrow><mi>T</mi></mrow><mrow><mi>g</mi></mrow></msub></math></span> estimation, offering an improvement over the conventional linear extrapolation method. Simulation results reveal that <span><math><msub><mrow><mi>T</mi></mrow><mrow><mi>g</mi></mrow></msub></math></span> increases with Al-content, suggesting that compositional tuning can enhance glass-forming ability. Structural characterization indicates that Al atoms favor heterogeneous bonding with Cu and Zr while tending to avoid the Al–Al bonds. Coordination analysis shows that ideal icosahedral clusters are most frequently centered on the Cu and Al atoms. Detailed cluster statistics and correlation analyses demonstrate that a higher Zr-content promotes the formation of Zr-centered distorted icosahedral clusters but suppresses their Cu- and Al-centered counterparts. Surprisingly, despite being a minority element in the composition of the ternary glasses by a significant margin, it is the Al-content that shows the strongest direct correlations with most of the ideal and distorted icosahedral clusters. It emphasizes aluminum’s unique role in stabilizing the glassy structure. These findings offer new insights into the relationships among composition, structure, and properties in bulk metallic glasses and highlight the potential of guiding the compositional optimization of Cu–Zr–Al alloys for improved glass-forming ability and thermal stability.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"350 ","pages":"Article 131945"},"PeriodicalIF":4.7,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787465","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}
The present study systematically investigates the wear characteristics of boron carbide (B4C)-reinforced M2 high-speed steel (HSS) composites fabricated by directed energy deposition (DED). The influence of varying B4C reinforcement content on wear behavior was comparatively evaluated against unreinforced M2 HSS specimens using comprehensive ball-on-disc tribological tests by measuring friction coefficient, mass loss, and wear rate. Detailed microstructural characterization revealed a matrix primarily consisting of martensite, retained austenite, and M2C-type carbide phases in the base material. Notably, the introduction of B4C reinforcement facilitated the in-situ formation of hard iron boride (FeB, Fe2B) and iron carbide (Fe3C) phases, significantly influencing the microstructure and properties. Microhardness measurements demonstrated a substantial increase from 734 HV in the unreinforced alloy to 1034 HV with the addition of 20 % B4C reinforcement. This enhancement is attributed primarily to the grain refinement and solid solution strengthening effects induced by the presence of boron carbide. Advanced surface topography analysis employing a 3D profilometer and detailed morphological investigations using scanning electron microscopy (SEM) provided further insights into the wear mechanisms. These analyses revealed that higher B4C concentrations effectively decreased wear rate and transitioned the dominant wear mechanism from adhesive to abrasive, underscoring the improved wear resistance and mechanical integrity of the composite material. This study highlighted the significant potential of B4C-reinforced M2 HSS composites manufactured via DED in applications requiring superior wear performance.
{"title":"Boron carbide reinforced M2 high-speed steel composites via directed energy deposition: Phase formation, microstructure, hardness, and wear resistance","authors":"Neetesh Kumar Sah , Gurminder Singh , Pulak Mohan Pandey , Sudarsan Ghosh","doi":"10.1016/j.matchemphys.2025.131959","DOIUrl":"10.1016/j.matchemphys.2025.131959","url":null,"abstract":"<div><div>The present study systematically investigates the wear characteristics of boron carbide (B<sub>4</sub>C)-reinforced M2 high-speed steel (HSS) composites fabricated by directed energy deposition (DED). The influence of varying B<sub>4</sub>C reinforcement content on wear behavior was comparatively evaluated against unreinforced M2 HSS specimens using comprehensive ball-on-disc tribological tests by measuring friction coefficient, mass loss, and wear rate. Detailed microstructural characterization revealed a matrix primarily consisting of martensite, retained austenite, and M<sub>2</sub>C-type carbide phases in the base material. Notably, the introduction of B<sub>4</sub>C reinforcement facilitated the in-situ formation of hard iron boride (FeB, Fe<sub>2</sub>B) and iron carbide (Fe<sub>3</sub>C) phases, significantly influencing the microstructure and properties. Microhardness measurements demonstrated a substantial increase from 734 HV in the unreinforced alloy to 1034 HV with the addition of 20 % B<sub>4</sub>C reinforcement. This enhancement is attributed primarily to the grain refinement and solid solution strengthening effects induced by the presence of boron carbide. Advanced surface topography analysis employing a 3D profilometer and detailed morphological investigations using scanning electron microscopy (SEM) provided further insights into the wear mechanisms. These analyses revealed that higher B<sub>4</sub>C concentrations effectively decreased wear rate and transitioned the dominant wear mechanism from adhesive to abrasive, underscoring the improved wear resistance and mechanical integrity of the composite material. This study highlighted the significant potential of B<sub>4</sub>C-reinforced M2 HSS composites manufactured via DED in applications requiring superior wear performance.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131959"},"PeriodicalIF":4.7,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842511","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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