Journal of Materials Research最新文献

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Chemically treated NiCo2O4 nanostructures with boric acid for the development of high-performance electrocatalytic materials for non-enzymatic ascorbic acid sensor 用硼酸化学处理镍钴氧化物纳米结构以开发用于非酶促性抗坏血酸传感器的高性能电催化材料
IF 2.7 4区 材料科学
Journal of Materials Research Pub Date : 2024-08-21 DOI: 10.1557/s43578-024-01420-7
Sanjha Mangrio, Aneela Tahira, Ihsan Ali Mahar, Ahmed Ali Hulio, Muhammad Ali Bhatti, Aqeel Ahmed Shah, Umair Aftab, Anjum Zehra Naqvi, Nek Muhammad Shaikh, Ayman Nafady, Elmuez Dawi, Abd Al Karim Haj Ismail, Brigitte Vigolo, Zafar Hussain Ibupoto
{"title":"Chemically treated NiCo2O4 nanostructures with boric acid for the development of high-performance electrocatalytic materials for non-enzymatic ascorbic acid sensor","authors":"Sanjha Mangrio, Aneela Tahira, Ihsan Ali Mahar, Ahmed Ali Hulio, Muhammad Ali Bhatti, Aqeel Ahmed Shah, Umair Aftab, Anjum Zehra Naqvi, Nek Muhammad Shaikh, Ayman Nafady, Elmuez Dawi, Abd Al Karim Haj Ismail, Brigitte Vigolo, Zafar Hussain Ibupoto","doi":"10.1557/s43578-024-01420-7","DOIUrl":"https://doi.org/10.1557/s43578-024-01420-7","url":null,"abstract":"<p>A method is presented in this paper for treating NiCo<sub>2</sub>O<sub>4</sub> nanostructures with boric acid in an environmentally friendly and cost-effective manner. Boric acid was applied to chemically prepared NiCo<sub>2</sub>O<sub>4</sub> nanostructures for different periods of time, including 30, 60, and 120 min. A variety of analytical techniques were used to examine the morphology, crystallinity, functional groups, and optical band gaps of the crystals. This resulted in the development of an electrochemical non-enzymatic ascorbic acid sensor using NiCo<sub>2</sub>O<sub>4</sub> nanostructures treated with boric acid. After being infused with 0.5 M boric acid for 120 min, NiCo<sub>2</sub>O<sub>4</sub> nanostructures demonstrated excellent performance for oxidizing AA in a phosphate buffer solution of pH 7.4. There was a wide linear range for non-enzymatic detection between 0.1 and 20 mM. We determined a limit of detection of approximately 0.003 mM and a limit of quantification of approximately 0.008 mM.</p><h3 data-test=\"abstract-sub-heading\">Graphical Abstract</h3>\u0000","PeriodicalId":16306,"journal":{"name":"Journal of Materials Research","volume":"283 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142216670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
High flexural modulus of polilactide composites for 3D printing technology using multifunctional octaspherosilicates 利用多功能八苯基硅酸盐实现用于 3D 打印技术的高弯曲模量聚乳酸复合材料
IF 2.7 4区 材料科学
Journal of Materials Research Pub Date : 2024-08-20 DOI: 10.1557/s43578-024-01400-x
Bogna Sztorch, Julia Głowacka, Dariusz Brząkalski, Eliza Romanczuk-Ruszuk, Bogdan Marciniec, Robert E. Przekop
{"title":"High flexural modulus of polilactide composites for 3D printing technology using multifunctional octaspherosilicates","authors":"Bogna Sztorch, Julia Głowacka, Dariusz Brząkalski, Eliza Romanczuk-Ruszuk, Bogdan Marciniec, Robert E. Przekop","doi":"10.1557/s43578-024-01400-x","DOIUrl":"https://doi.org/10.1557/s43578-024-01400-x","url":null,"abstract":"<p>In recent years, there has been a growing research interest focused on employing organosilicon compounds, including silsesquioxanes, as modifiers for different polymers. This work describes the methodology for obtaining a new nanocomposite using functionalized spherosilicates, which belong to the general group of silsesquioxane compounds. These modifiers are used as additives to polylactide to improve its properties in the context of the additive technology fused deposition modeling/fuse fabrication filament. The developed materials were characterized by better rheology compared to neat PLA. Differential scanning calorimetry analysis of the additives confirmed their reactive nature. Based on water contact angle tests, it was observed that up to 1.5% of the load, none of the additives influenced the wetting of the material surface. Microscopic images revealed visible agglomerations for the OSS-6MA-2TMOS system, while in samples with a lower share of methacrylic groups, very good dispersion of the additive in the matrix was observed. Also, the microscopic observations showed better melting of the composite layers containing additives in the 3D printing process, combined with the appropriate printing parameters, can ultimately produce more robust objects with fewer voids and discontinuities. The addition also resulted in an increase in mechanical parameters, mainly in terms of bending strength and impact strength.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":16306,"journal":{"name":"Journal of Materials Research","volume":"39 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142216699","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Investigating cation distribution and photocatalytic response of non-thermal plasma treated MZnFe2O4(M = Ni, Mg, Mn) nanocomposite ferrites 研究经非热等离子体处理的 MZnFe2O4(M = Ni、Mg、Mn)纳米复合铁氧体的阳离子分布和光催化响应
IF 2.7 4区 材料科学
Journal of Materials Research Pub Date : 2024-08-16 DOI: 10.1557/s43578-024-01412-7
Muhammad Aqib Busharat, Shazia Shukrullah, Mohamed M. Makhlouf
{"title":"Investigating cation distribution and photocatalytic response of non-thermal plasma treated MZnFe2O4(M = Ni, Mg, Mn) nanocomposite ferrites","authors":"Muhammad Aqib Busharat, Shazia Shukrullah, Mohamed M. Makhlouf","doi":"10.1557/s43578-024-01412-7","DOIUrl":"https://doi.org/10.1557/s43578-024-01412-7","url":null,"abstract":"<p>A sol–gel technique was used to synthesize MZnFe<sub>2</sub>O<sub>4</sub> (M = Ni, Mg, Mn) spinel ferrite composites. The post-synthesis sintering of the nanocomposites was done at 700 °C for 5 h, followed by non-thermal microwave plasma treatment for 60 min. X-ray diffraction (XRD) analysis of the nanocomposites was conducted to comprehend the cation distribution of pristine and plasma-modified nanocomposites. XRD intensity of peaks for (220), (311), (400) and (440) planes were used to determine the cations distribution using intensity ratio method. The plasma-modified nanocomposites showed a decrease in the intensity ratio of XRD peaks and an increase in the size of the crystallites. The plasma-modified ZnNiFeO<sub>4</sub> showed a photocatalytic activity of 95% against RhB dye, ZnMgFe<sub>2</sub>O<sub>4</sub> showed photocatalytic activity of 87%, and ZnMnFe<sub>2</sub>O<sub>4</sub> showed a photocatalytic activity of 90%. The key drivers of high dye degradation efficiency are surface functionalization, removal of oxides and reduced band gap of the plasma-modified nanocomposites.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":16306,"journal":{"name":"Journal of Materials Research","volume":"181 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142216702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Development and thermophysical investigation of stable fatty alcohol/SiO2 phase change material microcapsules through interfacial polycondensation 通过界面缩聚技术开发稳定的脂肪醇/二氧化硅相变材料微胶囊并进行热物理研究
IF 2.7 4区 材料科学
Journal of Materials Research Pub Date : 2024-08-16 DOI: 10.1557/s43578-024-01417-2
Veerakumar Chinnasamy, Nayoung You, Honghyun Cho
{"title":"Development and thermophysical investigation of stable fatty alcohol/SiO2 phase change material microcapsules through interfacial polycondensation","authors":"Veerakumar Chinnasamy, Nayoung You, Honghyun Cho","doi":"10.1557/s43578-024-01417-2","DOIUrl":"https://doi.org/10.1557/s43578-024-01417-2","url":null,"abstract":"<p>Developing competent energy storage materials is crucial for efficient thermal energy storage and utilization. Microencapsulated lauryl alcohol as phase change material using SiO<sub>2</sub> shell was prepared through a novel one-pot synthesis of interfacial polycondensation using tetraethyl orthosilicate as a shell precursor. The thermal properties were analyzed through differential scanning calorimetry, which revealed that the melting and freezing points of microcapsules were 23 °C and 18.9 °C, respectively. For melting and freezing, the estimated latent heats were 90 J g<sup>−1</sup> and 88.2 J g<sup>−1</sup>, respectively. Thermogravimetric analysis confirms that the microcapsules are stable at a higher temperature. Besides, the leak test of the developed microcapsules was performed to investigate the stability during the melting process. Moreover, the prepared microcapsules (MPCM2) show stable and excellent thermophysical properties after 500 thermal cycles, which shows that the developed microcapsule is an ideal candidate for thermal energy storage.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":16306,"journal":{"name":"Journal of Materials Research","volume":"34 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142216705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
In/Nb2O5 interfaces designed as enhanced broadband light absorbers, terahertz optical filters and quad band antennas 设计用作增强型宽带光吸收器、太赫兹光学滤波器和四波段天线的 In/Nb2O5 界面
IF 2.7 4区 材料科学
Journal of Materials Research Pub Date : 2024-08-16 DOI: 10.1557/s43578-024-01410-9
Latifah Hamad Khalid Alfhaid, A. F. Qasrawi, Amjad Salamah M. Aljaloud
{"title":"In/Nb2O5 interfaces designed as enhanced broadband light absorbers, terahertz optical filters and quad band antennas","authors":"Latifah Hamad Khalid Alfhaid, A. F. Qasrawi, Amjad Salamah M. Aljaloud","doi":"10.1557/s43578-024-01410-9","DOIUrl":"https://doi.org/10.1557/s43578-024-01410-9","url":null,"abstract":"<p>Herein, thin films of Nb2O5 are deposited onto semitransparent indium and glass substrates using the sputtering technique. Optical analyses revealed significant improvement in light absorption, displaying a maximum enhancement of 1900% at an incident photon energy of 2.29 eV. The dielectric constant of Nb<sub>2</sub>O<sub>5</sub> is increased by 289% after coating onto indium substrates. In addition it increased the values of terahertz cutoff frequency making the In/Nb<sub>2</sub>O<sub>5</sub> interfaces promising for use as optical band filters adequate for terahertz technology. On the other hand the experimentally designed In/Nb<sub>2</sub>O<sub>5</sub>/Ag antennas were tested in the frequency domain of 0.01–1.80 GHz. The antennas exhibited excellent performance across the quad-band range. The four lower bandstop edges of the AC transmission line are centered at 0.67 GHz, 1.19 GHz, 1.42 GHz, and 1.65 GHz. Additionally, the MIM antenna demonstrated a negative capacitance effect beneficial for canceling passive antenna modes, thereby resulting in high transmission rates with minimal power loss.</p><h3 data-test=\"abstract-sub-heading\">Graphical Abstract</h3>\u0000","PeriodicalId":16306,"journal":{"name":"Journal of Materials Research","volume":"4 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142227843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Dielectric and electromagnetic shielding behavior of CaCu3Ti4O12/CoFe2O4/silicone rubber composites CaCu3Ti4O12/CoFe2O4 硅橡胶复合材料的介电和电磁屏蔽行为
IF 2.7 4区 材料科学
Journal of Materials Research Pub Date : 2024-08-16 DOI: 10.1557/s43578-024-01416-3
Neelam Kumari, Shivali Meena, Amena Salim, Rahul Singhal, Vishant Gahlaut, Jigar Limbachiya, Bhuwaneshwar Semwal, Ravi Hegde, Umesh Kumar Dwivedi
{"title":"Dielectric and electromagnetic shielding behavior of CaCu3Ti4O12/CoFe2O4/silicone rubber composites","authors":"Neelam Kumari, Shivali Meena, Amena Salim, Rahul Singhal, Vishant Gahlaut, Jigar Limbachiya, Bhuwaneshwar Semwal, Ravi Hegde, Umesh Kumar Dwivedi","doi":"10.1557/s43578-024-01416-3","DOIUrl":"https://doi.org/10.1557/s43578-024-01416-3","url":null,"abstract":"<p>With mushrooming of wireless wearable devices, demand of efficient electromagnetic interference (EMI) shielding material gained much interest to obstruct the unwanted radiations. This paper reports the fabrication of CaCu<sub>3</sub>Ti<sub>4</sub>O<sub>12</sub>(CCTO)/CoFe<sub>2</sub>O<sub>4</sub>(CFO)/silicone composites and investigation of their dielectric and EMI shielding characteristics. The EMI shielding effectiveness and dielectric properties of prepared composites are evaluated for different compositions of CaCu<sub>3</sub>Ti<sub>4</sub>O<sub>12</sub> (50, 35, 25, 15 wt%) and CoFe<sub>2</sub>O<sub>4</sub> (0, 15, 25, 35 wt%) in silicone matrix. The dielectric constant found maximum (~ 50) for CCS-3 composite. The CaCu<sub>3</sub>Ti<sub>4</sub>O<sub>12</sub>/CoFe<sub>2</sub>O<sub>4</sub>/silicone composites (0 and 35% CoFe<sub>2</sub>O<sub>4</sub>) exhibited total shielding effectiveness (SE<sub>T</sub> ~ 6 dB) corresponds to 75% shielding efficiency in X-band. By introducing magnetic filler with CaCu<sub>3</sub>Ti<sub>4</sub>O<sub>12</sub> in silicone matrix, better EMI attenuation is remarkably achieved. The shielding mechanism displays synergistic contribution of magnetic particles, colossal dielectric particles, and insulating elastomeric matrix. This work provides an avenue for developing better electromagnetic radiation shielding material for wearable electronics, and dielectric resonators.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":16306,"journal":{"name":"Journal of Materials Research","volume":"30 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142216704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Lithium-substituted magnesium ferrite-polyaniline nanocomposites for X-band electromagnetic interference shielding 用于 X 波段电磁干扰屏蔽的锂取代镁铁氧体-聚苯胺纳米复合材料
IF 2.7 4区 材料科学
Journal of Materials Research Pub Date : 2024-08-16 DOI: 10.1557/s43578-024-01415-4
Sumit Kumar, Neelam Singh, Suraj Kumar
{"title":"Lithium-substituted magnesium ferrite-polyaniline nanocomposites for X-band electromagnetic interference shielding","authors":"Sumit Kumar, Neelam Singh, Suraj Kumar","doi":"10.1557/s43578-024-01415-4","DOIUrl":"https://doi.org/10.1557/s43578-024-01415-4","url":null,"abstract":"<p>The progress of the automated industry produces undesired electromagnetic interference (EMI) that distresses the end-users and functionality of electronic devices. This article develops new composite based on a polyaniline matrix and lithium-substituted magnesium ferrite (Mg0.8Li0.2Fe2O4) nanofiller. The composite was designed to contain both electric and magnetic sources by including polarizable groups in the PANI structure and by loading this matrix with magnetic nanoparticles, respectively. Magnetic analyses indicated a saturation magnetization and coercivity of 32.5 emu gm<sup>−1</sup> and 32 Oe, respectively, for the ferrite nanoparticles which reduces to magnetization of 13.5 emu gm<sup>−1</sup> with the composite formation. These novel composites are investigated from the point of view of their EMI shielding properties, showing the high shielding effectiveness of 73 dB in X-band frequency region. The composite’s remarkable shielding qualities make it a very promising material for a variety of applications, including radar absorption and stealth technology.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":16306,"journal":{"name":"Journal of Materials Research","volume":"23 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142216701","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Defects and doping in ultra-wide band gap (Al,Ga)N and β-(Al,Ga)2O3 alloys 超宽带隙 (Al,Ga)N 和 β-(Al,Ga)2O3 合金中的缺陷与掺杂
IF 2.7 4区 材料科学
Journal of Materials Research Pub Date : 2024-08-12 DOI: 10.1557/s43578-024-01407-4
Filip Tuomisto
{"title":"Defects and doping in ultra-wide band gap (Al,Ga)N and β-(Al,Ga)2O3 alloys","authors":"Filip Tuomisto","doi":"10.1557/s43578-024-01407-4","DOIUrl":"https://doi.org/10.1557/s43578-024-01407-4","url":null,"abstract":"<p>Si is the n-type dopant of choice for GaN and β-Ga<sub>2</sub>O<sub>3</sub>. However, in (Al,Ga)N and β-(Al,Ga)<sub>2</sub>O<sub>3</sub> alloys, when the Al content is increased, the n-type conductivity produced by the added Si impurities is efficiently compensated. The experimentally determined critical Al fractions are about 70% for the (Al,Ga)N alloys and as low as 25% for the β-(Al,Ga)<sub>2</sub>O<sub>3</sub> alloys. AlN and Al<sub>2</sub>O<sub>3</sub> are well known to be poorly n-type dopable even with Si, but the detailed compensation mechanisms in the alloys are not necessarily the same as in the compounds. This short review discusses recent research in Si-doped (Al,Ga)N and β-(Al,Ga)<sub>2</sub>O<sub>3</sub> alloys in the light of the compensation phenomena caused by Si DX center and cation vacancy formation.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":16306,"journal":{"name":"Journal of Materials Research","volume":"7 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142216706","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
TXRF capability of metallic contamination analysis on rough silicon wafers 对粗糙硅晶片进行金属污染分析的 TXRF 能力
IF 2.7 4区 材料科学
Journal of Materials Research Pub Date : 2024-08-02 DOI: 10.1557/s43578-024-01401-w
Viviane Yim, Anna Mukhtarov, Nathalie Drogue, Delphine Autillo, Thierry Lardin, Marc Zussy, Jérôme Dechamp, Delphine Truffier-Boutry
{"title":"TXRF capability of metallic contamination analysis on rough silicon wafers","authors":"Viviane Yim, Anna Mukhtarov, Nathalie Drogue, Delphine Autillo, Thierry Lardin, Marc Zussy, Jérôme Dechamp, Delphine Truffier-Boutry","doi":"10.1557/s43578-024-01401-w","DOIUrl":"https://doi.org/10.1557/s43578-024-01401-w","url":null,"abstract":"<p>Total X-Ray Fluorescence (TXRF) is a non-destructive technique for the characterization of metallic contaminants on bare silicon wafers. TXRF is sensible to roughness leading to a diffraction phenomenon. In this study, the effects of roughness on TXRF analysis were evaluated with various rough silicon wafers produced by microelectronic processes of grinding, wet cleaning and chemical mechanical polishing. TXRF parameters rise as roughness increases, starting from 3 nm RMS (Root Mean Square) roughness. On spectra, characteristic Si (silicon wafer) and W (TXRF anode) peaks widen. Secondary peaks, sum/escape peaks appear, inducing interferences with Al, Cu, Zn and background noise increases as well. Through intentionally contaminated grinded wafers (RMS 12 nm) by spin-coating at selected concentrations, it was observed that most of the elements are quantified at 1 × 10<sup>12</sup> at/cm<sup>2</sup>. At concentrations of 1 × 10<sup>10</sup> at/cm<sup>2</sup> and 1 × 10<sup>11</sup> at/cm<sup>2</sup>, only few elements are quantified due to the elevated background noise and interferences.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":16306,"journal":{"name":"Journal of Materials Research","volume":"2018 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141881246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Investigation of structural, electrical, dynamical, optical, and thermoelectric properties of Sr-doped Mg2Si systems using first-principles calculations 利用第一原理计算研究掺锶 Mg2Si 系统的结构、电气、动力学、光学和热电特性
IF 2.7 4区 材料科学
Journal of Materials Research Pub Date : 2024-08-01 DOI: 10.1557/s43578-024-01402-9
Dita Deme Degefa, Nebiyu Bogale Mereke, Mesfin Zewdu Biweta, Zeinu Ahmed Rabba, Mulualem Abebe Mekonnen
{"title":"Investigation of structural, electrical, dynamical, optical, and thermoelectric properties of Sr-doped Mg2Si systems using first-principles calculations","authors":"Dita Deme Degefa, Nebiyu Bogale Mereke, Mesfin Zewdu Biweta, Zeinu Ahmed Rabba, Mulualem Abebe Mekonnen","doi":"10.1557/s43578-024-01402-9","DOIUrl":"https://doi.org/10.1557/s43578-024-01402-9","url":null,"abstract":"<p>This research article explores the comprehensive characterization of Mg<sub>8</sub>Si<sub>4</sub> and Sr<sub>2</sub>Mg<sub>6</sub>Si<sub>8</sub> systems, delving into their structural, electrical, dynamical, optical, and thermoelectric properties. Employing GGA and HSE06 hybrid functional calculations alongside semiclassical Boltzmann technique calculations, the study reveals intriguing insights. Through examination of cohesive and formation energies, it is established that Sr<sub>2</sub>Mg<sub>6</sub>Si<sub>8</sub> exhibits the most stable condition. Phonon dispersion confirms the structural stability of both compounds. Mg8Si4 possesses an indirect band gap of 0.222 eV, whereas Sr<sub>2</sub>Mg<sub>6</sub>Si<sub>8</sub> showcases a direct band gap of 0.752 eV under HSE06 analysis. Notably, Sr2Mg6Si8 displays superior electrical conductivity and Seebeck coefficient despite low lattice thermal conductivity, resulting in a promising thermoelectric figure of merit (ZT) of 0.64 at 700 K. Moreover, the composition Sr2Mg6Si4 exhibits a notable Power Factor of 4 × 10<sup>12</sup> WK<sup>−2</sup> m<sup>−1</sup> s<sup>−1</sup> at 700 K, highlighting its potential for thermoelectric applications.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>\u0000","PeriodicalId":16306,"journal":{"name":"Journal of Materials Research","volume":"24 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141870623","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
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