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Denatured bovine serum albumin particle decorated graphene oxide nanocomposite for ultrasensitive resistive humidity sensing† 用于超灵敏电阻湿度传感的变性牛血清白蛋白颗粒修饰氧化石墨烯纳米复合材料
IF 5.2
Materials Advances Pub Date : 2024-11-29 DOI: 10.1039/D4MA00832D
Pan Qi, Yongkang Zhang, Ziang Zhang, Xiaobing Li and Cunlan Guo
{"title":"Denatured bovine serum albumin particle decorated graphene oxide nanocomposite for ultrasensitive resistive humidity sensing†","authors":"Pan Qi, Yongkang Zhang, Ziang Zhang, Xiaobing Li and Cunlan Guo","doi":"10.1039/D4MA00832D","DOIUrl":"https://doi.org/10.1039/D4MA00832D","url":null,"abstract":"<p >From humidity monitoring in various fields to noncontact human–machine interactions, the application of humidity sensors has been expanding. Accordingly, better resolution and higher sensitivity are desired for improving the performance of humidity sensors. In this study, an electrical sensor for highly sensitive humidity detection was fabricated <em>via</em> hydrogen bonding by integrating denatured bovine serum albumin particles (dBSA) with proton conductivity and graphene oxide (GO) nanosheets with large specific surface areas. The current signal of the sensor exhibits an approximately semi-logarithmic linear relationship with the relative humidity (RH), showing a nearly seven order of magnitude increase in current over the RH range of 15% to 90%. The sensor also displays high stability, selectivity, and response rate within a few seconds. The dBSA–GO nanofilm based humidity sensor was successfully applied to monitor respiration rates and simulate human–machine interaction in real time with high accuracy. Impedance spectroscopy and Kelvin probe measurements revealed the changes in the capacitance and work function of the dBSA–GO nanofilm with water adsorption. The water penetrating into the dBSA–GO nanofilm forms extensive hydrogen bonding networks, enhancing proton conductivity, while water adsorption on the surface alters dipole moments, resulting in asymmetric current behavior with increased current at forward bias. The extremely high humidity response shows the great potential of proteins in humidity sensor applications, thus expanding the field of biocompatible humidity sensors.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 1","pages":" 400-408"},"PeriodicalIF":5.2,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma00832d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142918639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chitosan microsphere-supported catalysts: design, synthesis and optimization for ethylene polymerization† 壳聚糖微球负载型乙烯聚合催化剂的设计、合成与优化。
IF 5.2
Materials Advances Pub Date : 2024-11-28 DOI: 10.1039/D4MA00893F
Joren M. Dorresteijn, Robin Conradi, Laurens D. B. Mandemaker, Kordula Schnabl, Virginie Cirriez, Alexandre Welle, Daniel Curulla-Ferré, Florian Meirer, Eelco T. C. Vogt and Bert M. Weckhuysen
{"title":"Chitosan microsphere-supported catalysts: design, synthesis and optimization for ethylene polymerization†","authors":"Joren M. Dorresteijn, Robin Conradi, Laurens D. B. Mandemaker, Kordula Schnabl, Virginie Cirriez, Alexandre Welle, Daniel Curulla-Ferré, Florian Meirer, Eelco T. C. Vogt and Bert M. Weckhuysen","doi":"10.1039/D4MA00893F","DOIUrl":"10.1039/D4MA00893F","url":null,"abstract":"<p >Polyolefins are the main building blocks for consumer products. Here, chitosan, a biopolymer that can be derived from abundant fishery waste, is shaped as a microspheroidal support using spray drying to facilitate ethylene polymerization. Definitive screening design was used to optimize synthesis steps efficiently. The generated catalysts were tested for ethylene polymerization, and the effects of MAO loading and generated porosity were assessed using a variety of micro- and spectroscopic techniques.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 1","pages":" 201-213"},"PeriodicalIF":5.2,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11604097/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142770394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Finding low-toxicity biopolymer solvents with high melting temperature and thermally induced phase separation of poly(ε-caprolactone)† 寻找具有高熔点和热诱导相分离聚(ε-己内酯)†的低毒生物聚合物溶剂
IF 5.2
Materials Advances Pub Date : 2024-11-28 DOI: 10.1039/D4MA01033G
Patrik Boura, Lenka Krajakova, Adam Bouz, Silvestr Figalla, Alexandr Zubov, Bart Van der Bruggen and Juraj Kosek
{"title":"Finding low-toxicity biopolymer solvents with high melting temperature and thermally induced phase separation of poly(ε-caprolactone)†","authors":"Patrik Boura, Lenka Krajakova, Adam Bouz, Silvestr Figalla, Alexandr Zubov, Bart Van der Bruggen and Juraj Kosek","doi":"10.1039/D4MA01033G","DOIUrl":"https://doi.org/10.1039/D4MA01033G","url":null,"abstract":"<p >This study focuses on identifying low-toxicity solvents for biopolymers such as poly(ε-caprolactone) (PCL) and polylactic acid (PLA) for applications in thermally induced phase separation (TIPS). Common solvents like dioxane and tetrahydrofuran, despite their effectivity, pose significant health risks. Therefore, this research aims to expand the available knowledge of safer solvent alternatives with melting temperatures above 0 °C to enhance the economic and environmental viability of TIPS. The Hansen solubility theory was applied to screen 846 chemicals for their compatibility with biopolymers, selecting those with favourable properties and experimentally testing their potential as TIPS solvents. Among the newly identified solvents, methyl-<em>p</em>-toluate (MPTOL) exhibited superior performance for PCL, showing high dissolution efficiency, low toxicity, and a melting temperature of 34 °C. The phase diagram of the PCL/MPTOL system was constructed using experimental data and computational modelling based on Flory–Huggins theory and PC-SAFT equation of state. Foams prepared through TIPS from this system demonstrated three distinct morphologies with increasing PCL concentration, aligning with expectations based on the phase diagram. These findings present methyl-<em>p</em>-toluate as a promising, safer alternative solvent for biopolymer processing in tissue engineering and membrane technologies, with potential to reduce energy costs and enhance process efficiency.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 1","pages":" 263-277"},"PeriodicalIF":5.2,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01033g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142918606","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Achievements, challenges, and stability of layer double hydroxide and carbon nanotube hybrid electrode materials for clean and sustainable energy storage supercapacitor application: an extensive review 层双氢氧化物和碳纳米管混合电极材料在清洁可持续储能超级电容器中的应用进展、挑战和稳定性综述
IF 5.2
Materials Advances Pub Date : 2024-11-28 DOI: 10.1039/D4MA00772G
Priyadarshi K. Ray and Kulamani Parida
{"title":"Achievements, challenges, and stability of layer double hydroxide and carbon nanotube hybrid electrode materials for clean and sustainable energy storage supercapacitor application: an extensive review","authors":"Priyadarshi K. Ray and Kulamani Parida","doi":"10.1039/D4MA00772G","DOIUrl":"https://doi.org/10.1039/D4MA00772G","url":null,"abstract":"<p >Considering the massive environmental concerns due to air and water pollution, exhaustion of natural sources and global warming, awareness of environmental protection is required. In this case, a disruptive method to develop sustainable energy storage systems in the form of electrochemical energy storage (EES) devices is urgent. Supercapacitors or ultracapacitors are one the best long-standing passive electronic devices that can deliver maximum power and energy density. Accordingly, in the energy field, there has been increasing interest in their charging/discharging power, with research focusing on their cost, environmental friendliness, toxicity, portability, safety, service life, and disposal. Significant research has been conducted on layered double hydroxide (LDH) and carbon nanotube (CNT) composites for the design and fabrication of electrodes, with a focus on electrolyte operating window potential and cell temperature. The aim of this review is to highlight the extraordinary properties of supercapacitors (SCs) in terms of their physical, chemical and electrochemical performances. Importantly, this review offers insights into some of the key LDH/CNT nanocomposite SC electrodes. The fundamental storage mechanism, advantages and drawbacks of LDH/CNT composites together with their popularity, physicochemical techniques, applications, environmental conditions, challenges and future perspectives are elaborated. We hope that this review will encourage the research community and will enhance the results with comparative challenges.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 1","pages":" 84-116"},"PeriodicalIF":5.2,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma00772g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142918612","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Engineering carbonyl-rich conjugated microporous polymers with a pyrene-4,5,9,10-tetraone building block as highly efficient and stable electrodes for energy storage† 工程富含羰基的共轭微孔聚合物与芘-4,5,9,10-四酮构建块作为高效和稳定的储能电极†
IF 5.2
Materials Advances Pub Date : 2024-11-28 DOI: 10.1039/D4MA00928B
Ahmed F. Saber, Ya-Fan Chen, Levannie Mabuti, Swetha V. Chaganti, Santosh U. Sharma, Johann Lüder, Jyh-Tsung Lee, Shiao-Wei Kuo and Ahmed F. M. EL-Mahdy
{"title":"Engineering carbonyl-rich conjugated microporous polymers with a pyrene-4,5,9,10-tetraone building block as highly efficient and stable electrodes for energy storage†","authors":"Ahmed F. Saber, Ya-Fan Chen, Levannie Mabuti, Swetha V. Chaganti, Santosh U. Sharma, Johann Lüder, Jyh-Tsung Lee, Shiao-Wei Kuo and Ahmed F. M. EL-Mahdy","doi":"10.1039/D4MA00928B","DOIUrl":"https://doi.org/10.1039/D4MA00928B","url":null,"abstract":"<p >As a solution to the environmental and energy crises, more safe and efficient energy storage technologies are extremely necessary. Conjugated microporous polymers (CMPs) bearing redox-active functional groups as well as nitrogen-rich moieties have received a lot of interest in energy conversion and storage applications. Herein, two novel redox-active pyrene-4,5,9,10-tetraone-based CMPs, BC-PT and TPA-PT, were successfully fabricated <em>via</em> Suzuki coupling of 2,7-dibromopyrene-4,5,9,10-tetraone (PT-2Br) with 3,3′,6,6′-tetrakis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9′-bicarbazole (BC-4BO) and <em>N</em><small><sup>1</sup></small>,<em>N</em><small><sup>1</sup></small>,<em>N</em><small><sup>4</sup></small>,<em>N</em><small><sup>4</sup></small>-tetrakis(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzene-1,4-diamine (TPA-4BO), respectively. Their chemical composition, porosity parameters, morphological structures, and thermal behavior were investigated. In three-electrode supercapacitors, the electrochemical behavior showed that BC-PT CMP exhibited the top specific capacitance of 373 F g<small><sup>−1</sup></small> in aqueous KOH (1.0 M) at a current density of 1.0 A g<small><sup>−1</sup></small>. It also possessed a great cyclability maintaining 94.37% of primary capacitance at 10 A g<small><sup>−1</sup></small> current density even after 5000 GCD cycles. A two-electrode supercapacitor with the BC-PT CMP displayed a superb electrochemical capacitance of 107 F g<small><sup>−1</sup></small> at 1.2 A g<small><sup>−1</sup></small>, a greater retention of 97.69% over 5000 GCD cycles at 10 A g<small><sup>−1</sup></small>, and a better energy density of 14.86 W h kg<small><sup>−1</sup></small>. The excellent efficiency of BC-PT CMP compared to that of TPA-PT CMP can be explained in terms of high specific surface area (478 m<small><sup>2</sup></small> g<small><sup>−1</sup></small>), large pore volume (0.44 cm<small><sup>3</sup></small> g<small><sup>−1</sup></small>), great planarity, and better conductivity. Accordingly, BC-PT CMP is a prospective candidate for storing energy. Besides the novelty of our synthesized polymers, they exhibited outstanding electrochemical characteristics, both in three-electrode and two-electrode systems, which were comparable to those of many other polymers.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 2","pages":" 607-616"},"PeriodicalIF":5.2,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma00928b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994038","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Programmed self-assembly of conjugated oligomer-based helical nanofibres through hydrogen bonding interactions† 基于氢键相互作用的共轭低聚物螺旋纳米纤维的程序自组装研究[j]
IF 5.2
Materials Advances Pub Date : 2024-11-28 DOI: 10.1039/D4MA01057D
Yu Wang, Guoxin Yin, Pradeep Cheraku, Yu Xia, Yuping Yuan, Peng Miao, Huidong Zang, Mircea Cotlet, Ping Xu and Hsing-Lin Wang
{"title":"Programmed self-assembly of conjugated oligomer-based helical nanofibres through hydrogen bonding interactions†","authors":"Yu Wang, Guoxin Yin, Pradeep Cheraku, Yu Xia, Yuping Yuan, Peng Miao, Huidong Zang, Mircea Cotlet, Ping Xu and Hsing-Lin Wang","doi":"10.1039/D4MA01057D","DOIUrl":"https://doi.org/10.1039/D4MA01057D","url":null,"abstract":"<p >We report the synthesis and programmed self-assembly of <em>m</em>-phenylene vinylene (<em>m</em>-PPV) derivatives containing amino acid functional groups. These derivatives form highly fluorescent nanofibres through hydrogen bonding, rather than π–π stacking. Systematic investigation of tyrosine-based derivatives reveals the critical role of lateral and vertical hydrogen bonding sites in forming uniform, high-aspect-ratio nanofibres, as confirmed by cryo-TEM and SEM (diameters 2–3 nm, lengths &gt; 20 μm). Chiral centres promoted helical nanofibres, while achiral oligomers formed straight fibres. Our study demonstrates the ability to form large-area, homogeneous straight and helical nanofibres with a high aspect ratio and increased melting point from 185 °C to 209.4 °C. Photophysical studies showed thickness-dependent fluorescence lifetimes, attributed to self-quenching. This work enhances the understanding of structure–property relationships in supramolecular assemblies and offers a new design strategy for biomimetic nanomaterials.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 1","pages":" 241-247"},"PeriodicalIF":5.2,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01057d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142918604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Origin and enhancement of the piezoelectricity in monolayer group IV monochalcogenides under strain and in the presence of vacancies 应变和空位存在下单层IV族单硫属化合物压电性的起源和增强
IF 5.2
Materials Advances Pub Date : 2024-11-28 DOI: 10.1039/D4MA00837E
Arun Jangir, Duc Tam Ho and Udo Schwingenschlögl
{"title":"Origin and enhancement of the piezoelectricity in monolayer group IV monochalcogenides under strain and in the presence of vacancies","authors":"Arun Jangir, Duc Tam Ho and Udo Schwingenschlögl","doi":"10.1039/D4MA00837E","DOIUrl":"https://doi.org/10.1039/D4MA00837E","url":null,"abstract":"<p >Piezoelectric materials are a critical component in many electronic devices from the nanoscale to the macroscale. Monolayer group IV monochalcogenides can provide particularly large piezoelectric coefficients. To investigate the origin of this strong piezoelectricity, we conduct an atomic-level analysis of the charge redistribution under mechanical strain. Our results show that it arises from charge transfer between strong and weak chemical bonds. We demonstrate that the piezoelectric coefficients can be substantially enhanced by mechanical strain and the presence of vacancies, for instance in the case of monolayer SnSe by up to 112% by 2% compression and by up to 433% by an Sn–Se vacancy density of 5.5%.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 1","pages":" 196-200"},"PeriodicalIF":5.2,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma00837e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142918601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Monitoring of the dissolution/precipitation behavior of bioglass with simulated body fluid buffered by HEPES 用HEPES缓冲的模拟体液监测生物玻璃的溶解/沉淀行为
IF 5.2
Materials Advances Pub Date : 2024-11-27 DOI: 10.1039/D4MA00752B
Diana Horkavcová, Eliška Sedláčková, Petr Bezdička, Miloslav Lhotka, Karolína Pánová and Aleš Helebrant
{"title":"Monitoring of the dissolution/precipitation behavior of bioglass with simulated body fluid buffered by HEPES","authors":"Diana Horkavcová, Eliška Sedláčková, Petr Bezdička, Miloslav Lhotka, Karolína Pánová and Aleš Helebrant","doi":"10.1039/D4MA00752B","DOIUrl":"https://doi.org/10.1039/D4MA00752B","url":null,"abstract":"<p >This research work investigates a 7-day interaction of bioactive glass in the form of grit with simulated body fluid with addition of HEPES buffer (SBF+H). The standard fluid buffered by TRIS (SBF+T) and unbuffered (SBF-Ø) were used for comparison. To understand the process more precisely, the material and the leachates were analyzed at hourly (1H, 2H, 4H) and daily (1D, 2D, 3D, 4D, 7D) intervals. During the static <em>in vitro</em> test the weight and specific surface area of the materials were measured and the surface and volume changes of the material character/composition were monitored by SEM/EDS and XRD. Samples of solution leachates were collected at regular intervals to determine concentrations of calcium, silicon and (PO<small><sub>4</sub></small>)<small><sup>3−</sup></small> and to measure pH. After exposure in SBF+T and SBF+H a new crystalline layer of hydroxyapatite formed on the material surface. The material exposed to SBF+H dissolved less than the one exposed to SBF+T but the hydroxyapatite layer on its surface grew faster. The material exposed only to SBF-Ø without any buffer dissolved much less, while the ions released into the solution very rapidly re-precipitated on the surface. As a result, three amorphous layers containing Si, Ca and P with different thicknesses were gradually formed on the surface. Results of material and solution analyses have clearly shown that both HEPES and TRIS buffers have a significant effect on the formation of hydroxyapatite on the surface of bioactive glass. The behavior of the HEPES buffer with highly bioactive bioglass is very similar to that of the TRIS buffer.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 1","pages":" 214-223"},"PeriodicalIF":5.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma00752b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142918602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Atomic structures and energetics of heterophase interfaces among Fe(100), TiC(110) and Mo2C(001) surfaces: insights from first-principles calculations†
IF 5.2
Materials Advances Pub Date : 2024-11-27 DOI: 10.1039/D4MA00901K
Chol-Jun Yu, Kyong-A. Rim, Song-Chol Ri, Chol Ryu, Hyok-Bom Yun, Jang-Il Rim and Chol-Song Pang
{"title":"Atomic structures and energetics of heterophase interfaces among Fe(100), TiC(110) and Mo2C(001) surfaces: insights from first-principles calculations†","authors":"Chol-Jun Yu, Kyong-A. Rim, Song-Chol Ri, Chol Ryu, Hyok-Bom Yun, Jang-Il Rim and Chol-Song Pang","doi":"10.1039/D4MA00901K","DOIUrl":"https://doi.org/10.1039/D4MA00901K","url":null,"abstract":"<p >Atomic structures and interfacial energies of Fe(100)/TiC(110), Fe(100)/Mo<small><sub>2</sub></small>C(001) and TiC(110)/Mo<small><sub>2</sub></small>C(001) interfaces were studied by using first-principles calculations. Convergence testing of surface energy demonstrates that Fe(100) and TiC(110) slabs with more than five atomic layers, and Mo- and C-terminated Mo<small><sub>2</sub></small>C(001) slabs with six and seven atomic layers, exhibit bulk-like properties inside the interface models. Slab supercells of five different heterophase interfaces composed of any two surfaces among Fe(100), TiC(110) and Mo<small><sub>2</sub></small>C(001) with Mo- and C-terminations were constructed with low lattice mismatches below 6%, and their atomistic relaxations were carried out. Our calculations for interfacial work of adhesion, interface binding energy and interfacial energy demonstrate that the Fe/Mo<small><sub>2</sub></small>C interface has stronger interfacial binding and higher thermodynamic stability than the Fe/TiC interface, while the TiC/Mo<small><sub>2</sub></small>C interface exhibits stronger interfacial binding but lower stability than the Fe/TiC interface. The reason is that the interfacial Fe–C chemical bonds are weaker than the Mo–C and Ti–C bonds as revealed by analysis of electronic charge density difference. The present work can provide guidelines to improve the performance of Fe-based composites.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 4","pages":" 1353-1363"},"PeriodicalIF":5.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma00901k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bismuth and tellurium co-doping: a route to improve thermoelectric efficiency in InSe polycrystals 铋和碲共掺杂:提高铟硒多晶热电效率的途径
IF 5.2
Materials Advances Pub Date : 2024-11-26 DOI: 10.1039/D4MA01011F
Manasa R. Shankar, A. N. Prabhu and Tulika Srivastava
{"title":"Bismuth and tellurium co-doping: a route to improve thermoelectric efficiency in InSe polycrystals","authors":"Manasa R. Shankar, A. N. Prabhu and Tulika Srivastava","doi":"10.1039/D4MA01011F","DOIUrl":"https://doi.org/10.1039/D4MA01011F","url":null,"abstract":"<p >Indium selenide (InSe), a layered chalcogenide material, has gained substantial scientific interest as a thermoelectric material due to its intrinsic low thermal conductivity. However, its intrinsic carrier concentration is notably minimal (∼10<small><sup>14</sup></small> cm<small><sup>−3</sup></small>) due to a significant bandgap of 1.3 eV limiting its thermoelectric efficiency. Therefore, to optimize InSe-based materials for thermoelectric applications, it is essential to increase the carrier concentration through precise doping methodologies. In this study, co-doping at both the anion and cation sites of InSe was achieved by introducing Bi to the In site and Te to the Se site. The impact of this co-doping on the thermoelectric performance of InSe-based materials was thoroughly investigated. The increase in carrier concentration due to the electron-donating nature of Bi significantly enhanced the electrical transport properties and the Seebeck coefficient (<em>S</em>) experienced a minor reduction, and the incorporation of Bi atoms resulted in a substantial improvement in the power factor (PF) across the temperature range. Among all the samples studied, In<small><sub>0.96</sub></small>Bi<small><sub>0.04</sub></small>Se<small><sub>0.97</sub></small>Te<small><sub>0.03</sub></small> exhibited the highest PF throughout the temperature range. The dopants Bi/Te acted as an effective phonon scattering center, reducing lattice thermal conductivity. The synergistic effect of cation–anion co-doping resulted in a maximum <em>ZT</em> of ∼0.13 at 630 K in the In<small><sub>0.96</sub></small>Bi<small><sub>0.04</sub></small>Se<small><sub>0.97</sub></small>Te<small><sub>0.03</sub></small> sample, which is nearly 11 times higher compared to the pristine sample. Considering these findings, Bi–Te co-doped InSe emerged as a highly promising material for thermoelectric applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 24","pages":" 9823-9837"},"PeriodicalIF":5.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ma/d4ma01011f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142790326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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