Materials Science and Engineering: B最新文献_第2页

Self-assembled N/O-doped carbon microflowers from benzimidazole-containing polyimides for supercapacitors 用含苯并咪唑聚酰亚胺制备的自组装N/ o掺杂碳微花用于超级电容器

IF 4.6 3区材料科学

Materials Science and Engineering: B Pub Date : 2025-09-30 DOI: 10.1016/j.mseb.2025.118828

Mengdi Liu, Yunhua Lu, Miao Liu, Hongbin Zhao, Zhizhi Hu, Guoyong Xiao

{"title":"Self-assembled N/O-doped carbon microflowers from benzimidazole-containing polyimides for supercapacitors","authors":"Mengdi Liu, Yunhua Lu, Miao Liu, Hongbin Zhao, Zhizhi Hu, Guoyong Xiao","doi":"10.1016/j.mseb.2025.118828","DOIUrl":"10.1016/j.mseb.2025.118828","url":null,"abstract":"<div><div>Herein, a kind of flower-like polyimide (PI) particles are first prepared via a self-assembly method using 2-(4-aminophenyl)-5-aminobenzimidazole (APBIA) and pyromellitic dianhydride (PMDA) as monomers. Subsequently, the N/O-doped carbon microflowers are obtained through pyrolysis. When the polymer solution concentration is 40 mg mL<sup>−1</sup>, and the solvothermal time and temperature are 8 h and 200 °C, the resulting carbon sample demonstrates high O and N contents (3.67 % and 10.07 %, respectively), leading to a capacitance of 178.1 F g<sup>−1</sup> at 0.5 A g<sup>−1</sup>. After further activation with HNO<sub>3</sub>, the optimized sample exhibits an enhanced specific capacitance (335.3 F g<sup>−1</sup>). Additionally, the symmetric coin SC cell constructed with ABPC-80-6-36 achieves a specific capacitance of 98.1 F g<sup>−1</sup>, along with an energy density of 13.63 Wh kg<sup>−1</sup> at a power density of 250 W kg<sup>−1</sup>. Even after 15,000 charge-discharge cycles, the capacitance retention remains approximately 100 %, indicating its potential as a high-performance electrode material.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"323 ","pages":"Article 118828"},"PeriodicalIF":4.6,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145220206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

On the question of relaxation time, its activation energies, and conduction mechanism of NiFe2-xLuxO4 (x@0, 5, and 7.5 %) 关于NiFe2-xLuxO4的弛豫时间、活化能和传导机理（x@0, 5, 7.5%）

IF 4.6 3区材料科学

Materials Science and Engineering: B Pub Date : 2025-09-30 DOI: 10.1016/j.mseb.2025.118835

Kodam Ugendar , Shanigaram Mallesh , Sudireddy Swathi , Naini Pavan Kumar , M.N.V. Ramesh , G. Markandeyulu , Soo-Yong Lee , Young-Woo Nam

{"title":"On the question of relaxation time, its activation energies, and conduction mechanism of NiFe2-xLuxO4 (x@0, 5, and 7.5 %)","authors":"Kodam Ugendar , Shanigaram Mallesh , Sudireddy Swathi , Naini Pavan Kumar , M.N.V. Ramesh , G. Markandeyulu , Soo-Yong Lee , Young-Woo Nam","doi":"10.1016/j.mseb.2025.118835","DOIUrl":"10.1016/j.mseb.2025.118835","url":null,"abstract":"<div><div>We report the dielectric, impedance spectroscopic, and conductivity properties of NiFe<sub>2-<em>x</em></sub>Lu<sub><em>x</em></sub>O<sub>4</sub> (<em>x</em>@ 0, 5, and 7.5 %) samples. The frequency dependence of the dielectric constant is explained using Koop's phenomenological theory, showing dispersion, which is modeled using a modified Debye function, considering contributions from multiple ion relaxation processes. Complex impedance plots display depressed semicircular arcs, with the radius decreasing as the temperature rises, indicating enhanced conductivity and a semiconducting nature in the samples. Impedance spectroscopy further reveals the presence of distinct relaxation mechanisms, distinguishing the contributions of bulk grains and grain boundaries to the overall electrical resistivity (R<sub>g</sub>) and capacitance (C<sub>g</sub>). Temperature-dependent AC conductivity measurements unveiled an overlapping large polaron tunnelling model, indicating a change in the conduction mechanism with temperature. The DC conductivity in the temperature range of 100 K to 300 K showed charge carriers' thermally activated drift mobility.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"323 ","pages":"Article 118835"},"PeriodicalIF":4.6,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145220208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Design of novel full Heusler alloys Mn2YAl (YFe, Sc, Ni, co): A combined machine learning and DFT study of magnetic and electronic properties 新型全Heusler合金Mn2YAl （YFe, Sc, Ni, co）的设计：一种结合机器学习和DFT的磁性和电子性能研究

IF 4.6 3区材料科学

Materials Science and Engineering: B Pub Date : 2025-09-30 DOI: 10.1016/j.mseb.2025.118816

Waqas Akhtar, Ahmed Ishfaq, Lu Zheng, Shanza Mubashir, Yong Liu, Nan Qu, Jingchuan Zhu

{"title":"Design of novel full Heusler alloys Mn2YAl (YFe, Sc, Ni, co): A combined machine learning and DFT study of magnetic and electronic properties","authors":"Waqas Akhtar, Ahmed Ishfaq, Lu Zheng, Shanza Mubashir, Yong Liu, Nan Qu, Jingchuan Zhu","doi":"10.1016/j.mseb.2025.118816","DOIUrl":"10.1016/j.mseb.2025.118816","url":null,"abstract":"<div><div>This study presents a novel approach for predicting the magnetic and electronic properties of Full Heusler alloys (FHAs) by employing eXtreme Gradient Boosting (XGBoost), a machine learning technique, alongside Density Functional Theory (DFT) calculations. The model employs feature engineering, k-fold cross-validation, and Bayesian optimization (BO) to precisely predict the material properties derived from an extensive library of Heusler alloy compositions. we employed rigorous assessment measures, resulting in a high performance on the unseen test set with R<sup>2</sup> = 0.90, MSE = 0.13, and MAE = 0.21 for the magnetic and R<sup>2</sup> = 0.87, MSE = 0.14, and MAE = 0.26 for the electronic properties. Compared to DFT, the XGBoost model produces very precise predictions with negligible error from −12.4 to 9.6 %, thus increasing the rate at which new materials are discovered. This work demonstrates the application of machine learning (ML) in materials science and facilitates further exploration of HAs, which are characterized by their magnetic and spintronic properties.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"323 ","pages":"Article 118816"},"PeriodicalIF":4.6,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145220207","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Coupled pore-forming and sodium supplementation strategies for asphalt-based hard carbon anodes to enhance the cycling stability of sodium-ion batteries 提高钠离子电池循环稳定性的沥青基硬碳阳极耦合成孔补钠策略

IF 4.6 3区材料科学

Materials Science and Engineering: B Pub Date : 2025-09-27 DOI: 10.1016/j.mseb.2025.118833

Xiaorui Wang , Xidong Wang , Lin Li , Ruohan Wang , Qianhui Sun , Lingshuo Meng , Zhenting Zang , Suoqi Zhao , Keng H. Chung , Fanhou Kong

{"title":"Coupled pore-forming and sodium supplementation strategies for asphalt-based hard carbon anodes to enhance the cycling stability of sodium-ion batteries","authors":"Xiaorui Wang , Xidong Wang , Lin Li , Ruohan Wang , Qianhui Sun , Lingshuo Meng , Zhenting Zang , Suoqi Zhao , Keng H. Chung , Fanhou Kong","doi":"10.1016/j.mseb.2025.118833","DOIUrl":"10.1016/j.mseb.2025.118833","url":null,"abstract":"<div><div>Due to its low cost, high aromaticity, and easy polycondensation, petroleum-based asphalt is an ideal precursor for preparing high-value-added hard carbon sodium-ion battery anode materials. However, the relatively low coulombic efficiency of these anodes has restricted their development. Herein, NaN<sub>3</sub> was introduced during the asphalt carbonization process to load Na<sub>2</sub>O<sub>2</sub> nanocrystals and generate a large number of pore structures on the surface of the resulting hard carbon. This led to a 45.8 % increase in the specific surface area and enhanced the sodium storage performance of the asphalt-based hard carbon anode. The average discharge specific capacity of the modified anode at 30 mA·g<sup>−1</sup> was 346.3 mAh·g<sup>−1</sup>, demonstrating excellent sodium storage performance. Moreover, modification with NaN<sub>3</sub> provided an initial coulombic efficiency (ICE) of up to 92.2 %, which was much higher than that of the base hard carbon sample (67.5 %). DFT theoretical calculations reveal a transition barrier of 0.12 eV, where Na and C lose electrons while O gains electrons.The modified anode material prepared by the coupled pore-forming and sodium supplementation process has a high specific capacity and good fast charging performance, enhancing the overall battery performance and helping promote the commercial application of sodium-ion batteries.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"323 ","pages":"Article 118833"},"PeriodicalIF":4.6,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145154361","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

NdBaCo1.8Nb0.1Y0.1O5+δ as an efficient and durable air electrode for protonic ceramic electrolysis cells NdBaCo1.8Nb0.1Y0.1O5+δ作为质子陶瓷电解电池高效耐用的空气电极

IF 4.6 3区材料科学

Materials Science and Engineering: B Pub Date : 2025-09-27 DOI: 10.1016/j.mseb.2025.118841

Wei Chen, Jianxiong Wang, Yuezhen Mao, Chunwen Sun

{"title":"NdBaCo1.8Nb0.1Y0.1O5+δ as an efficient and durable air electrode for protonic ceramic electrolysis cells","authors":"Wei Chen, Jianxiong Wang, Yuezhen Mao, Chunwen Sun","doi":"10.1016/j.mseb.2025.118841","DOIUrl":"10.1016/j.mseb.2025.118841","url":null,"abstract":"<div><div>Proton ceramic electrolysis cells (PCECs) have received a lot of attention due to their high energy conversion efficiency. Air electrode with high catalytic activities toward oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) are critical due to the sluggish reaction kinetics. In this work, a novel perovskite air electrode material of NdBaCo<sub>1.8</sub>Nb<sub>0.1</sub>Y<sub>0.1</sub>O<sub>5+δ</sub> (NBCNY) was designed by co-doping Nb and Y. As an air electrode, the NdBa<sub>1-<em>x</em></sub>Co<sub>1.8</sub>Nb<sub>0.1-<em>x</em></sub>Y<sub>0.1-<em>x</em></sub>O<sub>5+δ</sub> exhibits superior chemical compatibility with BaZr<sub>0.1</sub>Ce<sub>0.7</sub>Y<sub>0.1</sub>Yb<sub>0.1</sub>O<sub>3-δ</sub> (BZCYYb) electrolyte. The high oxygen vacancy concentration of NBCNY leads to an extremely low areal specific resistance (ASR) of 0.077 Ω cm<sup>2</sup> at 700 °C. At 700 °C and 1.5 V, the PCEC cell with NBCNY air electrode achieves a current density of 2.51 A cm<sup>−2</sup> and 2.64 A cm<sup>−2</sup> in H<sub>2</sub>O and CO<sub>2</sub>/H<sub>2</sub>O co-electrolysis modes, respectively. Furthermore, PCECs with NBCNY air electrode shows exceptional durability for more than 100 h.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"323 ","pages":"Article 118841"},"PeriodicalIF":4.6,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145154299","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Figure of merit for evaluating the thin-film encapsulation's performance via mechanical, barrier and optical properties 通过机械性能、阻挡性能和光学性能来评价薄膜封装性能的优点图

IF 4.6 3区材料科学

Materials Science and Engineering: B Pub Date : 2025-09-27 DOI: 10.1016/j.mseb.2025.118821

Majiaqi Wu , Maoliang Jian , Lianqiao Yang

引用次数: 0

Concentration driven changes in structural, optical, and electrochemical properties of spin coated poly 3-hexylthiophene (P3HT) thin films via fullerene (C60) incorporation 富勒烯（C60）掺入对自旋涂覆聚3-己基噻吩（P3HT）薄膜结构、光学和电化学性能的影响

IF 4.6 3区材料科学

Materials Science and Engineering: B Pub Date : 2025-09-27 DOI: 10.1016/j.mseb.2025.118834

G. P. Prema Kumar , P. Aruna , S. Sindhu , C.M. Joseph , Digvijay Narayan Singh

{"title":"Concentration driven changes in structural, optical, and electrochemical properties of spin coated poly 3-hexylthiophene (P3HT) thin films via fullerene (C60) incorporation","authors":"G. P. Prema Kumar , P. Aruna , S. Sindhu , C.M. Joseph , Digvijay Narayan Singh","doi":"10.1016/j.mseb.2025.118834","DOIUrl":"10.1016/j.mseb.2025.118834","url":null,"abstract":"<div><div>Surface morphology plays a decisive role in thin films' optical and electrical properties. This can be precisely tuned through chemical modifications (interstitial or substitutional doping) and/or sample annealing. This study investigated the effect of fullerene (C<sub>60</sub>) on the optical and electrochromic characteristics of spin-coated P3HT thin films for various concentration levels. Structural and morphological analysis revealed enhanced crystallite size (from 10 nm to 25 nm) and particle aggregation with increasing C<sub>60</sub> concentration. This surface modification significantly influenced the optical and electrochromic characteristics of the films. With the increase in C<sub>60</sub> concentration, (1) the optical band gap decreased from 2.50 eV to 1.92 eV, (2) peak intensity in UV–vis. and in PL spectra were quenched, and (3) the optical contrast decreased from 60 % to 8 %. The increment in the C<sub>60</sub> concentration influences the oxidation and reduction pathways as observed in the CV spectra. It is observed that the C<sub>60</sub> concentration influenced the cathode current diffusion coefficient more than that of the anode current diffusion coefficient. However, these higher C<sub>60</sub> concentration films still showed an electrochromic response.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"323 ","pages":"Article 118834"},"PeriodicalIF":4.6,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145154297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A strategic chemical reduction method to stabilize ferromagnetic Co phase in 4-benzoyl pyridine and wideband microwave absorption through magnetic investigation 采用化学还原法稳定4-苯甲酰基吡啶中铁磁Co相，并对其进行了宽带微波吸收研究

IF 4.6 3区材料科学

Materials Science and Engineering: B Pub Date : 2025-09-27 DOI: 10.1016/j.mseb.2025.118825

Shirsendu Datta , Chandi Charan Dey , Ayan Mallick , Jayanta Mandal , Karabi Majhi , Prabal Kumar Mallick , Pabitra Kumar Chakrabarti

{"title":"A strategic chemical reduction method to stabilize ferromagnetic Co phase in 4-benzoyl pyridine and wideband microwave absorption through magnetic investigation","authors":"Shirsendu Datta , Chandi Charan Dey , Ayan Mallick , Jayanta Mandal , Karabi Majhi , Prabal Kumar Mallick , Pabitra Kumar Chakrabarti","doi":"10.1016/j.mseb.2025.118825","DOIUrl":"10.1016/j.mseb.2025.118825","url":null,"abstract":"<div><div>In this work, a complete new strategic chemical reduction method is established to prepare and stabilize the ferromagnetic Co metal. X–ray diffractograms, High-resolution transmission electron microscopy and Raman spectroscopic analysis authenticate the pure crystallographic phase. Magnetic analysis confirmed the mixed phase of superparamagnetism (SPM) and ferromagnetism (FM) state and authorize the presence of magnetocrystalline anisotropy. Interestingly, Co-4-BOP exhibit the wide absorption bandwidth from 8.2 GHz to 18 GHz which covers the entire X and Ku bands. Origin of magnetic loss and conversion of EM wave energy to heat energy is explained by the Brownian and Néel motion in conjunction with rotation/fluctuation of SPM particles and ferromagnetic domain friction. Dielectric loss arises from both the conductivity loss and polarization loss. Intrinsic lattice plane defect in the pyridine ring of Co-4-BOP composite and interfacial polarization to the grain boundaries of various interfaces within the composite system influence the polarization loss.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"323 ","pages":"Article 118825"},"PeriodicalIF":4.6,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145154364","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Magnetic and optical properties of (Mn, Tc) co-doped HfS2 monolayer: A first-principles study （Mn, Tc）共掺杂HfS2单层的磁性和光学性质：第一性原理研究

IF 4.6 3区材料科学

Materials Science and Engineering: B Pub Date : 2025-09-26 DOI: 10.1016/j.mseb.2025.118815

Wencheng Ma , Dongfang Deng , Pengtao Wang , Long Lin , Dongbin Wang

引用次数: 0

Foam stabilization of Mg-3Ca alloys using TiB2 particles TiB2颗粒对Mg-3Ca合金泡沫的稳定作用

IF 4.6 3区材料科学

Materials Science and Engineering: B Pub Date : 2025-09-25 DOI: 10.1016/j.mseb.2025.118830

Akshay Devikar , G.S. Vinod Kumar

引用次数: 0