Pub Date : 2025-12-22DOI: 10.1016/j.matchemphys.2025.131974
Mamduh J. Aljaafreh , Sajjad H. Sumrra , Abrar U. Hassan
Organic polymers have emerged as promising materials for next-generation photovoltaic (PV) devices due to their tunable electronic properties and potential for low-cost, flexible solar cells. This study focuses on Non-Fullerene Acceptor (NFA) polymers, a subclass of organic polymers with tunable electronic properties for PV applications. The study develops a molecular graph fingerprinting approach to map the bandgap of NFA polymers using machine learning. It designs 2048-bit fingerprints for a dataset of ∼1145 NFA polymers with experimentally measured bandgaps from literature and evaluate several machine learning (ML) models to predict bandgap values. The results show that a random forest model achieves an R2 of 0.62, demonstrating the highest value among all. A 10,000 new polymer structures have been designed and visualized 5000 of them using a structure activity landscape index (SALI) scatter plot, identifying the top 20 polymers with the lowest predicted bandgaps. These promising candidates are proposed for practical synthesis and further investigation, paving the way for the development of high-performance organic PV devices. The current approach provides a tool for accelerating the discovery of NFA polymers with tailored electronic properties.
{"title":"A molecular graph fingerprinting based bandgap mapping of NFA polymers for next generation photovoltaic devices via machine learning","authors":"Mamduh J. Aljaafreh , Sajjad H. Sumrra , Abrar U. Hassan","doi":"10.1016/j.matchemphys.2025.131974","DOIUrl":"10.1016/j.matchemphys.2025.131974","url":null,"abstract":"<div><div>Organic polymers have emerged as promising materials for next-generation photovoltaic (<em>PV</em>) devices due to their tunable electronic properties and potential for low-cost, flexible solar cells. This study focuses on Non-Fullerene Acceptor (<em>NFA</em>) polymers, a subclass of organic polymers with tunable electronic properties for <em>PV</em> applications. The study develops a molecular graph fingerprinting approach to map the bandgap of <em>NFA</em> polymers using machine learning. It designs 2048-<em>bit</em> fingerprints for a dataset of ∼1145 NFA polymers with experimentally measured bandgaps from literature and evaluate several machine learning (<em>ML</em>) models to predict bandgap values. The results show that a random forest model achieves an <em>R</em><sup><em>2</em></sup> of 0.62, demonstrating the highest value among all. A 10,000 new polymer structures have been designed and visualized 5000 of them using a structure activity landscape index (<em>SALI</em>) scatter plot, identifying the top 20 polymers with the lowest predicted bandgaps. These promising candidates are proposed for practical synthesis and further investigation, paving the way for the development of high-performance organic <em>PV</em> devices. The current approach provides a tool for accelerating the discovery of <em>NFA</em> polymers with tailored electronic properties.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131974"},"PeriodicalIF":4.7,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881820","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}
Here, double perovskite oxide La0.6Sr1.4Ni0.4Co1.6O6 (LSNC) prepared by sol-gel method is used as the oxygen electrode catalyst. And Fe,N-codoped graphene (Fe–N) is introduced with different proportions to improve the catalytic ability of LSNC. Through the electrochemical performance tests, the results show that the current densities of 10 % Fe–N (where Fe–N accounts for 10 % of the total mass of the catalyst) are 320.90 mA cm−2 and 297.40 mA cm−2 at the applied potential of 1.0 V and −0.6 V (vs. Hg/HgO), respectively. The 10 % Fe–N exhibits higher current density than both the single catalyst LSNC and Fe–N, demonstrating superior catalytic stability and enhanced oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) activity. Furthermore, the 10 % Fe–N displays the lowest charge transfer resistance (Rct, 0.095 Ω) and Tafel slope (92.23 and 82.44 mV·dec−1), which means the highest internal charge transfer efficiency. This indicates that the electrochemical reaction impedance of the catalytic oxygen electrode is smaller and the reaction kinetics is faster.
本文采用溶胶-凝胶法制备的双钙钛矿氧化物La0.6Sr1.4Ni0.4Co1.6O6 （LSNC）作为氧电极催化剂。并以不同比例引入Fe， n共掺杂石墨烯（Fe - n），提高LSNC的催化性能。电化学性能测试结果表明，在1.0 V和- 0.6 V （vs. Hg/HgO）电位下，10% Fe-N（其中Fe-N占催化剂总质量的10%）的电流密度分别为320.90 mA cm - 2和297.40 mA cm - 2。10% Fe-N比单一催化剂LSNC和Fe-N表现出更高的电流密度，表现出更好的催化稳定性和更高的氧还原反应（ORR）和析氧反应（OER）活性。此外，10% Fe-N表现出最低的电荷转移电阻（Rct, 0.095 Ω）和Tafel斜率（92.23和82.44 mV·dec−1），这意味着内部电荷转移效率最高。这说明催化氧电极的电化学反应阻抗更小，反应动力学更快。
{"title":"Fe,N-codoped graphene/La0.6Sr1.4Ni0.4Co1.6O6 composites as catalysts for oxygen reduction and oxygen evolution reactions","authors":"Chen-xin Li, Chen-hui Wei, Qiu-ting Huang, Hong-xia Huang, Hou-qing Zhou, Xiao-dong Tang, Jie-yu Liang","doi":"10.1016/j.matchemphys.2025.131973","DOIUrl":"10.1016/j.matchemphys.2025.131973","url":null,"abstract":"<div><div>Here, double perovskite oxide La<sub>0.6</sub>Sr<sub>1.4</sub>Ni<sub>0.4</sub>Co<sub>1.6</sub>O<sub>6</sub> (LSNC) prepared by sol-gel method is used as the oxygen electrode catalyst. And Fe,N-codoped graphene (Fe–N) is introduced with different proportions to improve the catalytic ability of LSNC. Through the electrochemical performance tests, the results show that the current densities of 10 % Fe–N (where Fe–N accounts for 10 % of the total mass of the catalyst) are 320.90 mA cm<sup>−2</sup> and 297.40 mA cm<sup>−2</sup> at the applied potential of 1.0 V and −0.6 V (<em>vs</em>. Hg/HgO), respectively. The 10 % Fe–N exhibits higher current density than both the single catalyst LSNC and Fe–N, demonstrating superior catalytic stability and enhanced oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) activity. Furthermore, the 10 % Fe–N displays the lowest charge transfer resistance (<em>R</em><sub>ct</sub>, 0.095 Ω) and Tafel slope (92.23 and 82.44 mV·dec<sup>−1</sup>), which means the highest internal charge transfer efficiency. This indicates that the electrochemical reaction impedance of the catalytic oxygen electrode is smaller and the reaction kinetics is faster.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131973"},"PeriodicalIF":4.7,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842517","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}
This work presents the first M-SILAR-based study revealing a cobalt-induced p-to-n transition in CuO thin films. X-ray diffraction and Raman analysis confirms the successful incorporation of Co into the CuO lattice up to 8 %, without secondary phase formation, indicating its monoclinic structure. while EDX validates the elemental composition. Optical measurements reveal a tunable bandgap that decreases from 1.85 eV in undoped CuO to 1.57 eV at 8 % Co doping, attributed to defect-induced shallow donor levels near the conduction band. Hall measurements show stable p-type conductivity from 2 % to 6 % Co, followed by a clear n-type transition at 8 %, evidenced by negative Hall voltage and carrier concentration. These results position Co-doped CuO as a defect-engineered, tunable material for photovoltaic and spintronic applications.
{"title":"Cobalt-induced defects and their role in modulating charge carrier type in CuO thin films","authors":"Hafsa Diyagh , Nabil Bouri , Ismail Benaicha , Nejma Fazouan , Ahmed Rmili , Khalid Nouneh","doi":"10.1016/j.matchemphys.2025.131979","DOIUrl":"10.1016/j.matchemphys.2025.131979","url":null,"abstract":"<div><div>This work presents the first M-SILAR-based study revealing a cobalt-induced p-to-n transition in CuO thin films. X-ray diffraction and Raman analysis confirms the successful incorporation of Co into the CuO lattice up to 8 %, without secondary phase formation, indicating its monoclinic structure. while EDX validates the elemental composition. Optical measurements reveal a tunable bandgap that decreases from 1.85 eV in undoped CuO to 1.57 eV at 8 % Co doping, attributed to defect-induced shallow donor levels near the conduction band. Hall measurements show stable p-type conductivity from 2 % to 6 % Co, followed by a clear n-type transition at 8 %, evidenced by negative Hall voltage and carrier concentration. These results position Co-doped CuO as a defect-engineered, tunable material for photovoltaic and spintronic applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131979"},"PeriodicalIF":4.7,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881894","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 : 2025-12-22DOI: 10.1016/j.matchemphys.2025.131971
Yujun Sheng , Farah Hazmatulhaq , Bassem Assfour , Abdul Wahab Allaf , Lubna Al Hamoud , Wail Al Zoubi
In this study, we investigated the ordered self-assembly of N-heterocyclic donors (8-hydroxyquinoline (8-HQ)) on porous material surfaces (MgO-MgAl2O4) to fabricate flower-like structures. Further, we examined the effect of the solvent (ethanol, methanol, and water) on the self-ordered assembly of these molecules. The 8-HQ molecules exhibited different morphology as they grew on the porous inorganic surface, which were attributed to the distinct polarity that influences the coordination between 8-HQ and metal ions dissolved from the inorganic layer using the solvent. The electrochemical performance was improved significantly with the addition of an organic layer on the porous inorganic surface, as confirmed through an electrochemical analysis. And Ethanol exhibited the best promotion with respect to the formation of a compact and well-organized assemblies flower structure, facilitated by the strongest inter-molecular hydrogen bonding and л-л interactions. The results showed that the ethanol-derived hybrid coating showed the lowest corrosion rate with a value of 2.174 × 10−4 mpy, and highest R value of 4.96 × 105 Ω cm2, demonstrating superior anti-corrosion performance over Mg substrate under aggressive environment. These results highlight solvent polarity as a powerful strategy for directing supra-molecular assembly and achieving substantial improvements in corrosion protection.
{"title":"Influence of solvent polarity on the self-assembly and corrosion resistance of 8-hydroxyquinoline@MgO hybrid coatings","authors":"Yujun Sheng , Farah Hazmatulhaq , Bassem Assfour , Abdul Wahab Allaf , Lubna Al Hamoud , Wail Al Zoubi","doi":"10.1016/j.matchemphys.2025.131971","DOIUrl":"10.1016/j.matchemphys.2025.131971","url":null,"abstract":"<div><div>In this study, we investigated the ordered self-assembly of N-heterocyclic donors (8-hydroxyquinoline (8-HQ)) on porous material surfaces (MgO-MgAl<sub>2</sub>O<sub>4</sub>) to fabricate flower-like structures. Further, we examined the effect of the solvent (ethanol, methanol, and water) on the self-ordered assembly of these molecules. The 8-HQ molecules exhibited different morphology as they grew on the porous inorganic surface, which were attributed to the distinct polarity that influences the coordination between 8-HQ and metal ions dissolved from the inorganic layer using the solvent. The electrochemical performance was improved significantly with the addition of an organic layer on the porous inorganic surface, as confirmed through an electrochemical analysis. And Ethanol exhibited the best promotion with respect to the formation of a compact and well-organized assemblies flower structure, facilitated by the strongest inter-molecular hydrogen bonding and л-л interactions. The results showed that the ethanol-derived hybrid coating showed the lowest corrosion rate with a value of 2.174 × 10<sup>−4</sup> mpy, and highest R value of 4.96 × 10<sup>5</sup> Ω cm<sup>2</sup>, demonstrating superior anti-corrosion performance over Mg substrate under aggressive environment. These results highlight solvent polarity as a powerful strategy for directing supra-molecular assembly and achieving substantial improvements in corrosion protection.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131971"},"PeriodicalIF":4.7,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842614","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 : 2025-12-22DOI: 10.1016/j.matchemphys.2025.131962
Ayaz Muhammad , Hossein Minouei , Nokeun Park
High-entropy superalloys (HESAs) are an emerging class of materials engineered to outperform traditional superalloys in extreme environments. By combining high configurational entropy stabilization with precipitation hardening mechanisms, HESAs exhibit exceptional mechanical strength, thermal stability, and oxidation resistance. This review highlights the fundamental design principles of HESAs, focusing on alloy composition, microstructural engineering strategies, including precipitation strengthening, grain boundary engineering, and oxidation control, and advanced fabrication methods such as powder metallurgy, additive manufacturing, and spark plasma sintering. The integration of computational methodologies, particularly CALPHAD and machine learning, has significantly advanced alloy discovery and optimization. Potential applications in demanding sectors such as aerospace, power generation, and energy plants are discussed, together with challenges related to scalability, cost–performance trade-offs, and processing. Recent progress in computational modelling and experimental validation is reviewed, and future research directions are outlined. Overall, this review highlights the transformative potential of HESAs as next-generation materials for high-temperature and extreme environments.
{"title":"Review of high-entropy superalloys: design, microstructure, and properties","authors":"Ayaz Muhammad , Hossein Minouei , Nokeun Park","doi":"10.1016/j.matchemphys.2025.131962","DOIUrl":"10.1016/j.matchemphys.2025.131962","url":null,"abstract":"<div><div>High-entropy superalloys (HESAs) are an emerging class of materials engineered to outperform traditional superalloys in extreme environments. By combining high configurational entropy stabilization with precipitation hardening mechanisms, HESAs exhibit exceptional mechanical strength, thermal stability, and oxidation resistance. This review highlights the fundamental design principles of HESAs, focusing on alloy composition, microstructural engineering strategies, including precipitation strengthening, grain boundary engineering, and oxidation control, and advanced fabrication methods such as powder metallurgy, additive manufacturing, and spark plasma sintering. The integration of computational methodologies, particularly CALPHAD and machine learning, has significantly advanced alloy discovery and optimization. Potential applications in demanding sectors such as aerospace, power generation, and energy plants are discussed, together with challenges related to scalability, cost–performance trade-offs, and processing. Recent progress in computational modelling and experimental validation is reviewed, and future research directions are outlined. Overall, this review highlights the transformative potential of HESAs as next-generation materials for high-temperature and extreme environments.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131962"},"PeriodicalIF":4.7,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842612","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 formation of polyaniline (PANI) thin films depends strongly on the electropolymerization regime, which influences chain organization, oxidation state distribution, and functional properties. However, the literature still lacks integrated comparisons capable of correlating synthesis conditions with the resulting structural, electrochemical, and transport behavior of PANI films. In this work, PANI thin films were synthesized by galvanostatic (PANI-G), potentiodynamic (PANI-V), and electrochemically converted (PANI-C) routes and comprehensively characterized. Cyclic voltammetry (CV) was used to assess redox behavior and stability; in situ UV–Vis and Raman spectroelectrochemistry monitored the structural evolution during film growth. Ex situ FTIR-ATR, SEM/EDS, and AFM revealed chemical, morphological, and nanoscale features; and rotating disk voltammetry quantified film permeability. PANI-G exhibited a compact and homogeneous morphology, high stability, and the highest permeability (2.34 × 10−2 cm s−1), while PANI-V showed a rougher, granular structure, lower stability, and reduced permeability (9.72 × 10−3 cm s−1). The converted PANI-C film displayed permeability of 2.03 × 10−2 cm s−1 and exhibited an intermediate architecture arising from partial structural rearrangement during the conversion process, as evidenced by SEM and AFM, confirming its position between PANI-G and PANI-V. By integrating multiple complementary techniques, this study provides a unified structure–property–function framework, revealing how each electropolymerization regime produces a distinct PANI architecture. This comparative approach, not addressed in previous studies, enables rational selection of the most suitable synthesis mode for targeted applications such as sensing, protective coatings, catalysis, and energy-related technologies.
聚苯胺（PANI）薄膜的形成很大程度上取决于电聚合机制，它影响链的组织、氧化态分布和功能性质。然而，文献仍然缺乏能够将合成条件与聚苯胺薄膜的结构、电化学和输运行为相关联的综合比较。本文通过恒流（PANI- g）、动电位（PANI- v）和电化学转换（PANI- c）三种途径合成了聚苯胺薄膜，并对其进行了综合表征。循环伏安法（CV）评价氧化还原行为和稳定性；原位UV-Vis和拉曼光谱电化学监测了薄膜生长过程中的结构演变。非原位FTIR-ATR、SEM/EDS和AFM揭示了化学、形态和纳米尺度的特征；旋转盘伏安法定量测定膜的渗透率。PANI-G结构致密均匀，稳定性高，渗透率最高（2.34 × 10−2 cm s−1），而PANI-V结构粗糙，颗粒状，稳定性较差，渗透率较低（9.72 × 10−3 cm s−1）。SEM和AFM分析表明，转化后的PANI-C膜的渗透率为2.03 × 10−2 cm s−1，并且在转化过程中表现出由部分结构重排引起的中间结构，证实了其介于PANI-G和PANI-V之间。通过整合多种互补技术，本研究提供了一个统一的结构-性能-功能框架，揭示了每种电聚合机制如何产生独特的聚苯胺结构。这种比较方法在以前的研究中没有提到，它可以为目标应用（如传感、保护涂层、催化和能源相关技术）合理选择最合适的合成模式。
{"title":"Electrochemical synthesis regimes modulating the structural, morphological, and spectroelectrochemical properties of polyaniline thin films for targeted applications","authors":"Leonardo Gomes Medeiros , Joadir Humberto da Silva Junior , Flamarion Borges Diniz , Jailson Viera Melo , Pollyana Souza Castro","doi":"10.1016/j.matchemphys.2025.131975","DOIUrl":"10.1016/j.matchemphys.2025.131975","url":null,"abstract":"<div><div>The formation of polyaniline (PANI) thin films depends strongly on the electropolymerization regime, which influences chain organization, oxidation state distribution, and functional properties. However, the literature still lacks integrated comparisons capable of correlating synthesis conditions with the resulting structural, electrochemical, and transport behavior of PANI films. In this work, PANI thin films were synthesized by galvanostatic (PANI-G), potentiodynamic (PANI-V), and electrochemically converted (PANI-C) routes and comprehensively characterized. Cyclic voltammetry (CV) was used to assess redox behavior and stability; in situ UV–Vis and Raman spectroelectrochemistry monitored the structural evolution during film growth. Ex situ FTIR-ATR, SEM/EDS, and AFM revealed chemical, morphological, and nanoscale features; and rotating disk voltammetry quantified film permeability. PANI-G exhibited a compact and homogeneous morphology, high stability, and the highest permeability (2.34 × 10<sup>−2</sup> cm s<sup>−1</sup>), while PANI-V showed a rougher, granular structure, lower stability, and reduced permeability (9.72 × 10<sup>−3</sup> cm s<sup>−1</sup>). The converted PANI-C film displayed permeability of 2.03 × 10<sup>−2</sup> cm s<sup>−1</sup> and exhibited an intermediate architecture arising from partial structural rearrangement during the conversion process, as evidenced by SEM and AFM, confirming its position between PANI-G and PANI-V. By integrating multiple complementary techniques, this study provides a unified structure–property–function framework, revealing how each electropolymerization regime produces a distinct PANI architecture. This comparative approach, not addressed in previous studies, enables rational selection of the most suitable synthesis mode for targeted applications such as sensing, protective coatings, catalysis, and energy-related technologies.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131975"},"PeriodicalIF":4.7,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842616","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 : 2025-12-21DOI: 10.1016/j.matchemphys.2025.131964
Jie Pan, Ao Liu, Zeyuan Sun, Qi Liu, Jun Li, Xueshan Xiao
The oxidation performance of NiCoCrMoW medium-entropy alloys at 800 °C in ambient air has been investigated. The oxidation rate of the NiCoCrMoW alloys increased dramatically as the Co content, however, increasing Al/Ti co-doping content remarkably decreased oxidation rate of alloys. It can be seen from the macroscopic morphology that the oxide layer is severely peeled off with the increase of Co content and the prolongation of oxidation time. The addition of Al/Ti co-doping also has a significant promoting effect on the integrity of the oxide films. The increase in Al/Ti co-doping effectively slows down oxide film growth rate and reduces the thickness of the internal oxidation zone at the same oxidation time. With Co content increasing, the CoO oxide film on the alloy surface will further oxidize with oxygen to form porous Co3O4, which cannot provide significant protection for matrix. After Al/Ti co-doping, the generated Al2O3 oxide layer can reduce the diffusion of Ni and Co elements to the surface and the Cr2O3 oxide layer on the surface also prevent further oxidation of CoO to Co3O4.
{"title":"Oxidation behavior of NiCoCrMoW medium-entropy alloys with different cobalt content and Al/Ti co-doping at 800 °C in ambient air","authors":"Jie Pan, Ao Liu, Zeyuan Sun, Qi Liu, Jun Li, Xueshan Xiao","doi":"10.1016/j.matchemphys.2025.131964","DOIUrl":"10.1016/j.matchemphys.2025.131964","url":null,"abstract":"<div><div>The oxidation performance of NiCoCrMoW medium-entropy alloys at 800 °C in ambient air has been investigated. The oxidation rate of the NiCoCrMoW alloys increased dramatically as the Co content, however, increasing Al/Ti co-doping content remarkably decreased oxidation rate of alloys. It can be seen from the macroscopic morphology that the oxide layer is severely peeled off with the increase of Co content and the prolongation of oxidation time. The addition of Al/Ti co-doping also has a significant promoting effect on the integrity of the oxide films. The increase in Al/Ti co-doping effectively slows down oxide film growth rate and reduces the thickness of the internal oxidation zone at the same oxidation time. With Co content increasing, the CoO oxide film on the alloy surface will further oxidize with oxygen to form porous Co<sub>3</sub>O<sub>4</sub>, which cannot provide significant protection for matrix. After Al/Ti co-doping, the generated Al<sub>2</sub>O<sub>3</sub> oxide layer can reduce the diffusion of Ni and Co elements to the surface and the Cr<sub>2</sub>O<sub>3</sub> oxide layer on the surface also prevent further oxidation of CoO to Co<sub>3</sub>O<sub>4</sub>.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131964"},"PeriodicalIF":4.7,"publicationDate":"2025-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842510","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 : 2025-12-21DOI: 10.1016/j.matchemphys.2025.131966
Xinyue Xu , Jing Lv , Lei Chen , Minyu Xu , Yunze Xue , Hong Li , Yuan Ma , Ding Weng , Zhoujin Lv , Peixin Tang , Qi Wen , Jiadao Wang
The enhancement of hardness and electrical conductivity simultaneously presents a contradictory relationship for copper alloys. In this study, an ideal Cu–4Cr–2Nb (at%) alloy was prepared using the hot isostatic pressing (HIP) method. The synthesized alloy has an electrical conductivity of 80.52 % IACS at room temperature. Through the synergistic effects of dispersion strengthening and fine-grain strengthening, the sample achieved a hardness of 153 HV. The slow cooling process enabled sufficient precipitation of phases while simultaneously serving as a natural annealing treatment. This high temperature and pressure treatment allows the sample to have a higher grain boundary density and precipitate fraction while maintaining a lower defect level. These research findings provide new insights for developing Cu–Cr–Nb alloys with excellent mechanical properties and electrical conductivity.
{"title":"Effect of hot isostatic pressure on the mechanical and electrical properties of Cu–Cr–Nb alloy","authors":"Xinyue Xu , Jing Lv , Lei Chen , Minyu Xu , Yunze Xue , Hong Li , Yuan Ma , Ding Weng , Zhoujin Lv , Peixin Tang , Qi Wen , Jiadao Wang","doi":"10.1016/j.matchemphys.2025.131966","DOIUrl":"10.1016/j.matchemphys.2025.131966","url":null,"abstract":"<div><div>The enhancement of hardness and electrical conductivity simultaneously presents a contradictory relationship for copper alloys. In this study, an ideal Cu–4Cr–2Nb (at%) alloy was prepared using the hot isostatic pressing (HIP) method. The synthesized alloy has an electrical conductivity of 80.52 % IACS at room temperature. Through the synergistic effects of dispersion strengthening and fine-grain strengthening, the sample achieved a hardness of 153 HV. The slow cooling process enabled sufficient precipitation of phases while simultaneously serving as a natural annealing treatment. This high temperature and pressure treatment allows the sample to have a higher grain boundary density and precipitate fraction while maintaining a lower defect level. These research findings provide new insights for developing Cu–Cr–Nb alloys with excellent mechanical properties and electrical conductivity.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131966"},"PeriodicalIF":4.7,"publicationDate":"2025-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842512","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}
This study presents a paper-based colorimetric biosensor (P1@AuNP/CNFS) for rapid and selective detection of prostate-specific antigen (PSA) in both clinical and forensic samples. The platform integrates renewable materials, molecular recognition and plasmonic nanotechnology, where cellulose nanofiber strips (CNFS) derived from waste biomass provide a biodegradable substrate and gold nanoparticles (AuNPs) conjugated with a synthetic PSA-specific peptide (P1) serve as the colorimetric probe. Upon PSA binding, the peptide–AuNPs conjugates (P1@AuNPs) aggregate on the CNFS, yielding a visible red-to-blue colour shift via plasmonic coupling within 30 s. The assay achieves a detection limit of ≈7 ng/mL and was validated in human serum and semen samples. This platform is primarily developed for elevated PSA screening and forensic semen identification, where rapid, instrument-free and low-cost detection is required. This low-cost, disposable system satisfies WHO-ASSURED criteria and offers advantages over conventional PSA detection assays. By integrating P1@AuNPs sensing with sustainable biopolymer substrates i.e., CNFS, the device supports dual applications of prostate cancer screening and forensic semen identification. The cross-disciplinary approach, integrating renewable substrate materials, peptide-based biorecognition and plasmonic nanotechnology, highlights its translational potential, enabling reliable PSA testing in resource-limited field settings.
{"title":"A colorimetric sensor for prostate-specific antigen in human blood and semen","authors":"Panchali Barman , Santosh Kumar , Shubhi Joshi , Manpreet Kaur , Mayank Maan , Shweta Sharma , Anupama Kaushik , Avneet Saini","doi":"10.1016/j.matchemphys.2025.131958","DOIUrl":"10.1016/j.matchemphys.2025.131958","url":null,"abstract":"<div><div>This study presents a paper-based colorimetric biosensor (P1@AuNP/CNFS) for rapid and selective detection of prostate-specific antigen (PSA) in both clinical and forensic samples. The platform integrates renewable materials, molecular recognition and plasmonic nanotechnology, where cellulose nanofiber strips (CNFS) derived from waste biomass provide a biodegradable substrate and gold nanoparticles (AuNPs) conjugated with a synthetic PSA-specific peptide (P1) serve as the colorimetric probe. Upon PSA binding, the peptide–AuNPs conjugates (P1@AuNPs) aggregate on the CNFS, yielding a visible red-to-blue colour shift via plasmonic coupling within 30 s. The assay achieves a detection limit of ≈7 ng/mL and was validated in human serum and semen samples. This platform is primarily developed for elevated PSA screening and forensic semen identification, where rapid, instrument-free and low-cost detection is required. This low-cost, disposable system satisfies WHO-ASSURED criteria and offers advantages over conventional PSA detection assays. By integrating P1@AuNPs sensing with sustainable biopolymer substrates i.e., CNFS, the device supports dual applications of prostate cancer screening and forensic semen identification. The cross-disciplinary approach, integrating renewable substrate materials, peptide-based biorecognition and plasmonic nanotechnology, highlights its translational potential, enabling reliable PSA testing in resource-limited field settings.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131958"},"PeriodicalIF":4.7,"publicationDate":"2025-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842608","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 : 2025-12-20DOI: 10.1016/j.matchemphys.2025.131972
Zhaoqiang Lu , Dandan Yin , Shuguang Liu , Liqiang Yin , Xiaoxiao Wang , Lin Li
Given that polyethylene glycol (PEG) and nanocrystalline cellulose (NCC) can separately enhance the re-swelling and mechanical properties of polyvinyl alcohol (PVA) hydrogel, this study explores the synergistic effects of these on the properties of PVA hydrogel. We first prepared PVA, PEG/PVA, PVA-NCC, and PEG/PVA-NCC hydrogels using a physical freeze-thaw method. The formation mechanism, thermal stability, and electrical conductivity of the hydrogels were investigated. Results indicated that PEG/PVA-NCC hydrogel forms a three-dimensional network structure with NCC as the primary skeleton and PVA as the secondary skeleton. PEG primarily serves as a pore-forming agent, increasing the complexity of the hydrogel structure. The three-dimensional network structure of PVA-NCC and PEG/PVA-NCC hydrogels results in significantly lower volume resistivities (37 Ohms and 22 Ohms, respectively), compared to 616 Ohms (PVA) and 559 Ohms (PEG/PVA). Moreover, PEG and NCC enhance the thermal stability of PVA hydrogel, with the thermal stability of PEG/PVA-NCC hydrogel reaching 277 % of that of the PVA hydrogel. The re-swelling mass percentages of PVA, PEG/PVA, PVA-NCC, and PEG/PVA-NCC hydrogels prepared after three freeze-thaw cycles were 225.68 %, 284.48 %, 239.06 %, and 277.78 %. Their compressive strengths were 0.49 MPa, 0.39 MPa, 0.95 MPa, and 0.67 MPa. In summary, PEG and NCC enhance the re-swelling and mechanical properties of PVA hydrogel from different perspectives. The incorporation of PEG and NCC improves thermal stability, electrical conductivity, re-swelling, and mechanical properties. These improvements demonstrate their significant potential for applications in industrial manufacturing and building materials.
{"title":"Exploring the synergistic effect of polyethylene glycol and nanocrystalline cellulose on the properties of polyvinyl alcohol hydrogel","authors":"Zhaoqiang Lu , Dandan Yin , Shuguang Liu , Liqiang Yin , Xiaoxiao Wang , Lin Li","doi":"10.1016/j.matchemphys.2025.131972","DOIUrl":"10.1016/j.matchemphys.2025.131972","url":null,"abstract":"<div><div>Given that polyethylene glycol (PEG) and nanocrystalline cellulose (NCC) can separately enhance the re-swelling and mechanical properties of polyvinyl alcohol (PVA) hydrogel, this study explores the synergistic effects of these on the properties of PVA hydrogel. We first prepared PVA, PEG/PVA, PVA-NCC, and PEG/PVA-NCC hydrogels using a physical freeze-thaw method. The formation mechanism, thermal stability, and electrical conductivity of the hydrogels were investigated. Results indicated that PEG/PVA-NCC hydrogel forms a three-dimensional network structure with NCC as the primary skeleton and PVA as the secondary skeleton. PEG primarily serves as a pore-forming agent, increasing the complexity of the hydrogel structure. The three-dimensional network structure of PVA-NCC and PEG/PVA-NCC hydrogels results in significantly lower volume resistivities (37 Ohms and 22 Ohms, respectively), compared to 616 Ohms (PVA) and 559 Ohms (PEG/PVA). Moreover, PEG and NCC enhance the thermal stability of PVA hydrogel, with the thermal stability of PEG/PVA-NCC hydrogel reaching 277 % of that of the PVA hydrogel. The re-swelling mass percentages of PVA, PEG/PVA, PVA-NCC, and PEG/PVA-NCC hydrogels prepared after three freeze-thaw cycles were 225.68 %, 284.48 %, 239.06 %, and 277.78 %. Their compressive strengths were 0.49 MPa, 0.39 MPa, 0.95 MPa, and 0.67 MPa. In summary, PEG and NCC enhance the re-swelling and mechanical properties of PVA hydrogel from different perspectives. The incorporation of PEG and NCC improves thermal stability, electrical conductivity, re-swelling, and mechanical properties. These improvements demonstrate their significant potential for applications in industrial manufacturing and building materials.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"351 ","pages":"Article 131972"},"PeriodicalIF":4.7,"publicationDate":"2025-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145842559","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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