Bulletin of Materials Science最新文献

{"title":"First-principles study on structural and electronic properties of Er-doped dysprosium orthovanadate oxide","authors":"Rachana Sain,&nbsp;Chandan Upadhyay","doi":"10.1007/s12034-024-03363-5","DOIUrl":"10.1007/s12034-024-03363-5","url":null,"abstract":"<div><p>Comprehensive structural and electronic properties of zircon-type ternary-metal oxide, dysprosium orthovanadate, doped with varying concentrations of Er have been investigated using first-principles density functional theory (DFT). Furthermore, the significance of substitutional site doping has been elucidated, revealing that Er incorporation can profoundly alter the structural and electronic characteristics of DyVO₄. Replacing Er atoms with Dy atoms through substitutional doping reduces the band gap to 2.79 eV compared to the pure zircon-type dysprosium vanadate oxide’s band gap value of 2.87 eV. Cohesive energy of Er-doped DyVO₄ oxide has also been computed at the <i>ab initio</i> level of calculation. Partial density of states’ (PDOS) calculations of all configurations, suggest that the doping element Er exhibits favourable chemical interactions with the host metal oxide, DyVO₄. Electronic bands near the zero-energy or Fermi level strongly originate from the molecular orbitals of O, V and Dy atoms. Still, we have found that cation substitution at Dy ions’ site largely influences these electronic states and decreases band gap energy value. Consequently, by adjusting concentration of the dopant, the band gap of DyVO₄ oxide can be finely tuned to achieve specific desired levels, which is suitable for electronic applications.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"48 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826260","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}

{"title":"Structural investigation and red emission intensity enhancement in Sm3+/Eu3+-doped/co-doped KSrPO4 phosphors: effect of charge compensation","authors":"A V Bharati,&nbsp;Sudha Ramnath","doi":"10.1007/s12034-024-03350-w","DOIUrl":"10.1007/s12034-024-03350-w","url":null,"abstract":"<div><p>At the realm of luminescence in the present period, phosphates are the fresh and developing candidates. In the suggested study work, citric acid is used as a fuel to create Sm³⁺- and Eu³⁺-activated/co-activated KSrPO₄ phosphor by a simple combustion process. Through the use of XRD and Rietveld refinement, the phase identity and crystal structure of produced phosphor are examined. SEM is used to examine the morphological study, elemental analysis and elemental analysis of the sample together with the planned phosphor. The suggested phosphors’ vibrational properties were confirmed through the use of FTIR. The suggested phosphor’s charge compensation effect and photochromic qualities demonstrate three instantaneous emission peaks in the visible range, which results in the emission of white light. The produced phosphor is a viable option for white light-emitting diodes and display applications, as confirmed by all these findings.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"48 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826261","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}

{"title":"High performance ultraviolet photodetector based on lead-free bismuth perovskite heterojunction","authors":"Peng Wang,&nbsp;Zhenfu Pei,&nbsp;Qilin Dai,&nbsp;Hongshang Peng,&nbsp;Libo Fan,&nbsp;Zhi Zheng","doi":"10.1007/s12034-024-03338-6","DOIUrl":"10.1007/s12034-024-03338-6","url":null,"abstract":"<div><p>Metal-based halide perovskite materials are very promising for high-performance optoelectronic devices due to their extraordinary photoelectric properties. Bismuth-based perovskites are believed to replace the toxic Pb-based perovskites in optoelectronics due to their remarkable stability, and nontoxic properties. Here, we report self-powered Cs₃Bi₂Br₉/SnO₂ heterojunction ultraviolet (UV) photodetectors with excellent photoelectric detectivity. The optimized device exhibits an excellent ON/OFF ratio of 5.5 <span>(times)</span> 10³, a large responsivity of 25 mA/W, and a detectivity of 6.9 <span>(times)</span> 10¹¹ Jones at 0 V bias, which is much better than other bismuth halide perovskites with the same structure. In addition, our photodetector performance of the optimized device exhibits almost no change even after 30 days of exposure under an ambient environment, indicating excellent stability. Sulphur is introduced to Cs₃Bi₂Br₉ via bismuth ethyl-xanthogenate (Bi(Xt)₃) to further improve the device performance. Detectivity of 9.2 × 10¹¹ Jones and responsivity of 37 mAW^–1 are achieved, which shows the best performance for bismuth-perovskite photodetector in this work. This work provides a method for fabricating high-performance and stable bismuth-based perovskite photodetectors with perovskite/inorganic heterojunctions.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"48 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142821493","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}

{"title":"Materials sustainability of thermoelectric generators for waste heat utilization","authors":"Anilkumar Bohra,&nbsp;Satish Vitta","doi":"10.1007/s12034-024-03373-3","DOIUrl":"10.1007/s12034-024-03373-3","url":null,"abstract":"<div><p>Amount of waste heat exergy generated globally (~69.058 EJ) can be divided into low temperature &lt;373 K, 30.496 EJ; medium temperature 373–573 K, 14.431 EJ; and high temperature &gt;573 K, 24.131 EJ. The minimum number of thermoelectric pn-junctions required to convert this high-temperature exergy into electrical power using currently known best materials is found to increase from 8.22 × 10¹¹ to 24.66 × 10¹¹ when the aspect ratio of the legs increases from 0.5 to 1.5 cm⁻¹. To convert the low-temperature exergy, 81.76 × 10¹¹ to 245.25 × 10¹¹ junctions will be required. The amount of alloys required to synthesize these is of the order of ‘millions of tons’, which means the elements Bi, Te, Pb, Sb, Sn and Se required are also of similar magnitude. The current production of these elements, however, falls far short of this requirement by several orders of magnitude, indicating significant materials supply chain risk. The production of these elements and devices, even if resources are available, will emit millions of tons of CO₂ showing that current alloys are non-sustainable. It therefore becomes clear that alternate materials with low embodied energy, emissions and toxicity footprint, as well as minimal supply chain risk, need to be pursued.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"48 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811192","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}

{"title":"Real surface area determination of dendritic porous copper films electrodeposited by pulsating overpotential regime using cyclic voltammetry method","authors":"Fatemeh Karimi Tabar Shafiei,&nbsp;Kourosh Jafarzadeh,&nbsp;Alireza Madram","doi":"10.1007/s12034-024-03352-8","DOIUrl":"10.1007/s12034-024-03352-8","url":null,"abstract":"<div><p>To increase the active surface area of copper collectors in Li-ion batteries, electrochemical deposition of porous copper films was carried out using a solution of 0.15 M CuSO₄·5H₂O in 0.5 M H₂SO₄. Square-wave pulsating overpotential deposition was performed at overpotential amplitudes of −1100, −1250 and −1400 mV <i>vs</i>. Ag/AgCl on copper foil, rated for Li batteries. Energy-dispersive method analysis and a scanning electron microscope were used to characterize film morphology. X-ray diffraction method was used to analyse structural properties of the deposits. Electroactive and real surfaces of the samples were measured using cyclic voltammetry (CV) in a 0.1 M KOH solution. The results showed that by increasing the applied negative overpotential, the electroactive and real surface area of the samples were increased. As a result, the sample values of 47.13, 58.50 and 62.63 cm² were obtained at the respective deposition overpotential amplitudes of −1100, −1250 and −1400 mV. For untreated film, however, the value was around 9.35 cm². Ultimately, it was discovered that CV is a highly effective technique for determining the real surface area of porous copper foils.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"48 1","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142811193","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}

{"title":"Synthesis of near-infrared absorbing materials based on copper phosphate compounds","authors":"Thi Hanh Nguyen,&nbsp;Thi Thanh Thuy Tran","doi":"10.1007/s12034-024-03348-4","DOIUrl":"10.1007/s12034-024-03348-4","url":null,"abstract":"<div><p>This work presents the synthesis of near-infrared absorbing materials based on copper phosphate by wet chemical precipitation with calcined temperatures of 250–750°C. At lower temperatures, it resulted in libethenite. From 450°C, copper oxy bisphosphate was formed and then transformed to copper dioxide bis(phosphate) and copper orthophosphate at 550–650°C. Sequently, copper dioxide bis(phosphate) decomposition was at 750°C. These thermal products showed significant changes in crystalline phase, morphology, and vibration characteristics, as well as the optical properties of obtained samples. While the samples treated at 250, 350, and 450°C gave pale colours, the ones calcined at 550, 650, and 750°C exhibited darker colours but stronger near-infrared absorbing ability.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142789195","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}

{"title":"Effect of Ti addition on the electrochemical behaviour of Sn-0.7Cu-xTi lead-free solders alloys in 3.5 wt.% NaCl solution","authors":"Dheeraj Jaiswal,&nbsp;Dileep Pathote,&nbsp;Vikrant Singh,&nbsp;Mukesh Raushan Kumar,&nbsp;C K Behera","doi":"10.1007/s12034-024-03354-6","DOIUrl":"10.1007/s12034-024-03354-6","url":null,"abstract":"<div><p>The electrochemical corrosion behaviour of Sn-0.7Cu-xTi (x = 0, 1, 2, and 3 wt.%) lead-free solder alloys was investigated using Potentiodynamic polarisation analysis in a 3.5 wt.% sodium chloride solution at room temperature. This study aims to determine the impact of titanium (Ti) variation on the corrosion properties of Sn-0.7Cu-xTi alloys and to provide insights into the optimal composition of Sn-0.7Cu solders based on their corrosion resistance. According to electrochemical impedance spectroscopy (EIS) data, the addition of Ti influenced the corrosion product surface, altering the electrochemical behaviour from charge transfer control to diffusion control. Notably, the inclusion of a trace amount of Ti (1 wt.%) significantly enhanced the corrosion resistance and microstructure of Sn-0.7Cu solder, as evidenced by a markedly higher total resistance (R_t) and a substantially lower corrosion current density (<i>I</i>_corr). However, the excessive addition of Ti (Ti &gt; 1 wt.%) led to the formation of Ti₂Sn₃ intermetallic compounds (IMCs), which diminished the corrosion resistance of Sn-0.7Cu-xTi solders. The primary corrosion products identified were Sn₃O(OH)₂Cl₂ with minor amount of TiO₂, SnO₂ and SnCl₂ complexes. This study concludes that an optimal Ti content of 1 wt.% in Sn-0.7Cu solder significantly improves corrosion resistance, while higher Ti levels adversely affect the alloy's performance.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761843","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}

{"title":"Investigation of mechanical properties of multi-walled carbon nanotubes/hollow glass microspheres – carbon fibre-reinforced epoxy composites in transverse fibre directions","authors":"K Tejasvi,&nbsp;D Vignesh,&nbsp;V J Jayashree,&nbsp;P Sundar Singh","doi":"10.1007/s12034-024-03346-6","DOIUrl":"10.1007/s12034-024-03346-6","url":null,"abstract":"<div><p>Combining exceptional crushing strength of hollow glass microspheres (HGM) with reinforcing properties of carbon nanotubes as well as carbon fibres with epoxy resins results in a design poised to meet the demand for advanced, lightweight and high strength materials required in a variety of industries, such as aerospace and automotive, particularly, in the manufacture of composite rocket motor casings. In this study, unidirectional laminates of HGM/multi-walled CNTs (MWCNTs)/carbon-epoxy (CE) composites (samples nomenclature A–F) of varying wt.% of HGM and constant 0.1 wt.% of MWCNTs by filament winding technique were fabricated and subsequently cured. The HGM (iM16K) was varied as 0.2, 0.4, 0.6, 0.8, 1.0 wt.% by maintaining a constant concentration of 0.1 wt.% of MWCNTs. The hardener, fine hard (FH5200) was utilized in combination with epoxy resin (Epofine 1555). The epoxy resin was heated to 60°C after the fillers were added. Thermogravimetric analysis, differential mechanical analyzer and thermal mechanical analyzer were used to estimate the thermal stability, glass transition temperature and coefficient of thermal expansion (CTE), respectively. HGM and MWCNTs dispersion in the fracture samples caused by transverse tensile loading was examined using scanning electron microscopy. The effect of variation of HGM and 0.1 wt.% constant MWCNTs on tensile and compressive properties in transverse fibre directions of these composites has been investigated. Transverse tensile strength and tensile modulus were improved by 29.07 and 12.33%, respectively, up on the addition of 0.2 wt.% of HGM and 0.1 wt.% of MWCNTs in CE composite. The other findings indicated that &gt; 0.2 wt.% HGM along with constant concentration of MWCNTs had decreasing effect on transverse tensile strength, modulus and compressive strength. The MWCNTs agglomeration was identified as the cause of these mechanical property degradations. The addition of HGM and MWCNTs decreased the CTE of the composite and increased the glass transition temperature as HGM limits the thermal motions of the epoxy polymer chain’s molecular segments. The HGM/MWCNTs/CE composite was shown to be thermally stable up to 310°C.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142714632","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}

{"title":"Investigation of chemical network, electronic environments and electrochemical performance of Fe3O4/ZnO/rGO nanocomposites","authors":"Sumitra Dutta,&nbsp;Aishwarya Madhuri,&nbsp;Sanketa Jena,&nbsp;Bibhu P Swain","doi":"10.1007/s12034-024-03353-7","DOIUrl":"10.1007/s12034-024-03353-7","url":null,"abstract":"<div><p>The present study synthesized reduced graphene oxide-reinforced iron oxide and zinc oxide (Fe₃O₄/ZnO/rGO) nanocomposites with varying ZnO content using a facile chemical reduction method for energy storage application. The scanning electron microscope reveals that the grain size of Fe₃O₄/ZnO/rGO varied between 8 and 17.09 µm on the surface of the graphene sheet. The (101) and (102) planes were at 36.42 and 47.03°, respectively, confirming the ZnO wurtzite hexagonal structure. The crystallite size and lattice strain varied from 14.18 to 19.37 nm and 0.0018 to 0.0093, respectively, estimated from the Williamson–Hall plot with 60, 70, and 80 wt.% ZnO content. X-ray photoelectron spectroscopy (XPS) confirmed that the Fe and Zn contents varied from 21.5 to 24.48 at.% and 37.93 to 40.65 at.%, respectively. The C1s core orbital binding energy indicated the presence of C-Zn, C-Fe, and C-O-/C=O functional groups. Dominance of s-orbital in the valence band is observed in all Fe₃O₄/ZnO/rGO nanocomposites, and <i>p</i>-orbital is dominant in the valence band of pure rGO. The structural defect study in Raman shows that the defect parameter (I_D/I_G) varied from 0.28 to 0.38 with 60, 70, and 80 wt.% ZnO content, indicating an increase in defects with increasing 60 to 80 wt.% ZnO content in Fe₃O₄/ZnO/rGO network. The cyclic voltammetry showed that the specific capacitances for 70 and 80 wt.% ZnO content is 550 and 645 F g⁻¹, respectively, and for ZnO/rGO is 641 F g⁻¹ at 10 mV s⁻¹ scan rate, which indicates that the specific capacitance increases with the increase in ZnO.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142692009","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}

{"title":"Ti/TiO2 nanoneedles/AgBr heterojunction architecture as antifouling surfaces","authors":"Ananya Bose,&nbsp;Ramakrishnan Ganesan,&nbsp;Jayati Ray Dutta","doi":"10.1007/s12034-024-03328-8","DOIUrl":"10.1007/s12034-024-03328-8","url":null,"abstract":"<div><p>Metallic surfaces endowed with antifouling characteristics are crucial in biomedical devices, frequently-contacted surfaces, food and cosmetic packaging, etc. Here, flexible Ti foil has been employed to grow TiO₂ nanoneedles, known for their exceptional properties, using a modified hydrothermal synthesis method. The established hydrothermal synthesis of TiO₂ nanoneedles employs concentrated HCl solution that completely digests the Ti foil. In the present study, concentration of HCl was lowered systematically to unearth the optimal conditions for obtaining hydrothermally grown TiO₂ nanoneedles. To make the surfaces antifouling under dark–light dual-mode conditions, deposition of varying loadings of photosensitizing AgBr was made. These nanostructures were characterized using field emission scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy and UV diffuse reflectance spectroscopy, respectively. Antibacterial efficacy of TiO₂/AgBr heterojunctions was evaluated under both dark and visible light conditions against two representative gram-negative bacteria, <i>Pseudomonas fluorescens</i> and <i>Escherichia coli</i> DH5-α. Notably, TiO₂ nanostructures coated with 50 mg ml⁻¹ of the AgBr precursor achieved complete bacterial clearance for <i>P. fluorescens</i> within 180–240 min in the dark, while a comparable activity was observed within 90–120 min under light conditions. In the case of <i>E. coli</i> DH5-α, even a lesser loading of 30 mg ml⁻¹ was more effective. The crystal violet assay employing biofilm-forming <i>P. fluorescens</i> showed increased biofilm inhibition with higher AgBr loadings. The findings of this study highlight the multifunctional potential of the AgBr-loaded TiO₂ nanostructure as a dual-mode antibacterial coating on metallic surfaces.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 4","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142691863","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}