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Developing an analytical solution for stress analysis of composite pipes under combined external pressure and axial load
IF 2.5 4区 材料科学
Applied Physics A Pub Date : 2025-03-09 DOI: 10.1007/s00339-025-08344-x
Roham Rafiee, Ali Shahcheraghi
{"title":"Developing an analytical solution for stress analysis of composite pipes under combined external pressure and axial load","authors":"Roham Rafiee,&nbsp;Ali Shahcheraghi","doi":"10.1007/s00339-025-08344-x","DOIUrl":"10.1007/s00339-025-08344-x","url":null,"abstract":"<div><p>This research presents a theoretical model for analyzing composite pipes under combined axial and external pressure loadings. Accurate prediction and understanding of the response of composite pipes to these loading conditions are crucial for ensuring their structural integrity and longevity in off-shore environments. Thus, a sophisticated theoretical model is developed and rigorously evaluated in this study. The model synergistically combines the 3D elasticity method and classical lamination theory (CLT) to precisely capture the intricate interactions between axial forces and external pressure on composite pipes. The robustness and accuracy of the proposed model are demonstrated through finite element (FE) simulations and parallel analytical methods. Developed analytical method provides valuable insights and practical solutions for engineering applications, particularly in offshore engineering. The findings of this study pave the way for enhanced design methodologies, ensuring greater safety and efficiency in structural analysis.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143581037","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
Magnetoresistance in Co/Cu magnetic metallic superlattices: influence of copper layer thickness at low temperatures
IF 2.5 4区 材料科学
Applied Physics A Pub Date : 2025-03-08 DOI: 10.1007/s00339-025-08356-7
Bassem Elsafi
{"title":"Magnetoresistance in Co/Cu magnetic metallic superlattices: influence of copper layer thickness at low temperatures","authors":"Bassem Elsafi","doi":"10.1007/s00339-025-08356-7","DOIUrl":"10.1007/s00339-025-08356-7","url":null,"abstract":"<div><p>This research examines the magnetoresistance (MR) behaviour of Co/Cu superlattices with a fixed Co layer thickness of 20 Å, emphasizing the effect of varying Cu layer thickness on MR across a wide temperature range of 4.2–300 K. The study specifically explores how different Cu layer thicknesses and interface compositions impact spin-dependent electron scattering, which in turn affects the MR ratio. The theoretical framework suggests that the MR is highly sensitive to changes in Cu layer thickness due to the modification of electron scattering mechanisms at the Co/Cu interfaces. Through numerical simulations, it is observed that the MR decreases significantly as the Cu layer thickness increases from 5 Å to 150 Å, particularly at lower temperatures. The agreement between theoretical predictions and experimental measurements underscores the importance of Cu layer thickness and interface and surface integrity in achieving optimal MR performance in electrodeposited Co/Cu multilayers.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143581157","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 antimicrobial properties of graphene and reduced graphene oxide coated NiTi alloys
IF 2.5 4区 材料科学
Applied Physics A Pub Date : 2025-03-08 DOI: 10.1007/s00339-025-08380-7
M. Muthumeenal, M. Rajalakshmi, R. Indirajith, Manivannan Nandhagopal
{"title":"Investigation of antimicrobial properties of graphene and reduced graphene oxide coated NiTi alloys","authors":"M. Muthumeenal,&nbsp;M. Rajalakshmi,&nbsp;R. Indirajith,&nbsp;Manivannan Nandhagopal","doi":"10.1007/s00339-025-08380-7","DOIUrl":"10.1007/s00339-025-08380-7","url":null,"abstract":"<div><p>Nickel-Titanium (NiTi) alloys are widely used in dental applications like orthodontic wires, endodontic instruments and implants due to their shape memory and superelasticity. However, their biocompatibility, corrosion resistance and antibacterial properties need improvement for long-term performance in the oral environment. The purpose of this study is to enhance their suitability for long-term applications in dental and medical fields. This study investigates the synthesis, characterization and bioactivity of graphene (G) and reduced graphene oxide (rGO) coatings on NiTi alloys to improve their surface properties. Reduced graphene oxide (rGO) was synthesized from graphene oxide (GO) using the hydrazine reduction method. Graphene (G) and rGO were then coated onto NiTi substrates via the dip-coating technique. The samples were analyzed using Powder X-ray Diffraction (PXRD), Fourier-Transform Infrared Spectroscopy (FTIR), Raman Spectroscopy and Scanning Electron Microscopy (SEM). PXRD results confirmed the presence of G and rGO, showing a shift in peak positions, indicating structural modifications. The calculated average crystallite size 6.5 nm (G) and 11.3 nm (rGO), suggesting nanostructural formation. FTIR analysis identified key functional groups on G/rGO, contributing to the materials biocompatibility. Raman spectroscopy showed the D/G band, confirming the successful reduction of graphene oxide and maintaining the structural integrity of the Samples. SEM images confirmed the layer formation of G and rGO on NiTi, supporting their uniform coating and enhancing the structural properties of the material. Bioactivity tests revealed that rGO-coated NiTi exhibited excellent antibacterial activity, antifungal properties and hemolytic activity, highlighting its ability to be a promising coating material for dental implants. These results suggest that rGO coatings significantly enhance the bioactivity of NiTi alloys, improving their suitability for long-term dental and medical applications.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143571067","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
Collapsing dynamics and microjet formation of laser-induced cavitation bubble near corrugated solid wall
IF 2.5 4区 材料科学
Applied Physics A Pub Date : 2025-03-07 DOI: 10.1007/s00339-025-08397-y
Maojun Li, Ziheng Huang, Xujing Yang
{"title":"Collapsing dynamics and microjet formation of laser-induced cavitation bubble near corrugated solid wall","authors":"Maojun Li,&nbsp;Ziheng Huang,&nbsp;Xujing Yang","doi":"10.1007/s00339-025-08397-y","DOIUrl":"10.1007/s00339-025-08397-y","url":null,"abstract":"<div><p>In this work, the volume of fluid method with multiphase flow is applied to numerically study the pulsation process of laser-induced bubbles near corrugated solid surfaces. By changing the distance between the bubble center and the corrugated surface and the laser energy, the pulsation behavior of the bubble, the pressure field, the velocity field, and the variation patterns of the bubble's maximum radius and pulsation period are comprehensively investigated. When the bubble is closest to the corrugated surface, the presence of peaks on both sides causes the bubble to contract inward from both sides, forming a peach shape. Regarding the pressure distribution, the pressure inside the bubble follows a pattern of first decreasing and then increasing. The velocity changes of the microjet generated during the bubble contraction phase are monitored in real-time, which is beneficial for better revealing the impact erosion mechanism of the microjet on complex surface materials.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143564466","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
Theoretical investigations on the effect of defects contributes to electronic structure and optical properties of monolayer MoS2 based on first-principle calculations
IF 2.5 4区 材料科学
Applied Physics A Pub Date : 2025-03-07 DOI: 10.1007/s00339-025-08360-x
Xin Wang, Yijie Wang, Lei Gu, Shutao Yu, Dawei Lu, Song Yang, Ying Bian
{"title":"Theoretical investigations on the effect of defects contributes to electronic structure and optical properties of monolayer MoS2 based on first-principle calculations","authors":"Xin Wang,&nbsp;Yijie Wang,&nbsp;Lei Gu,&nbsp;Shutao Yu,&nbsp;Dawei Lu,&nbsp;Song Yang,&nbsp;Ying Bian","doi":"10.1007/s00339-025-08360-x","DOIUrl":"10.1007/s00339-025-08360-x","url":null,"abstract":"<div><p>In paper, for monolayer MoS<sub>2</sub>(ML-MoS<sub>2</sub>), five common point defect structural models are proposed, incuding two kinds of vacancy defects on the ML-MoS<sub>2</sub> surface with the loss of S atom or Mo atom, respectively, are denoted by V<sub>S</sub>, V<sub>Mo</sub>. Besides three kinds of substitution defects, Mo atom is substituted by S atoms, which is D<sub>Mo(S)</sub>, S atom is substituted with Mo atoms, which is D<sub>S(Mo)</sub>, and the defect obtained by the interchange of a pair of neighboring Mo and S atoms is denoted by D<sub>Mo−S</sub>. Our paper aims at explore changes on electronic structures and optical properties caused by above five intrinsic defects. The hybrid exchange-correlation functional (HSE06) were used in the calculation. The results indicates compared with the intrinsic ML-MoS<sub>2</sub> of 5.73, static dielectric function of D<sub>S(Mo)</sub> significantly improved, which is 7.18. For all defects models, according to density of electronic states, find their absorption peaks are all due to the electronic leaps from Mo-d orbitals to S-p orbitals and they don’t show additional absorption peaks. Due to the reflectivity decreases with the increase of photon energy around 0 ~ 0.5 eV, V<sub>Mo</sub> and all substitution defects models, show some degradation in performance of resistance to infrared radiation. The optical conductivity imaginary part of the defective models increased in the infrared and visible regions and decreased in the ultraviolet region due to local energy levels and defect states.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143564467","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
La and Cr induced structural modifications in BiFeO3 ceramics
IF 2.5 4区 材料科学
Applied Physics A Pub Date : 2025-03-07 DOI: 10.1007/s00339-025-08334-z
Farha Jabeen, Aasim Hussain, Faisal Farooq, M. Shahid Khan, Raghvendra Pandey
{"title":"La and Cr induced structural modifications in BiFeO3 ceramics","authors":"Farha Jabeen,&nbsp;Aasim Hussain,&nbsp;Faisal Farooq,&nbsp;M. Shahid Khan,&nbsp;Raghvendra Pandey","doi":"10.1007/s00339-025-08334-z","DOIUrl":"10.1007/s00339-025-08334-z","url":null,"abstract":"<div><p>Bismuth ferrite (BiFeO<sub>3</sub>) is a highly promising multiferroic material with extensive potential applications. This study investigates the impact of lanthanum (La) and chromium (Cr) doping on the structural properties of BiFeO<sub>3</sub> (BFO). Compositions BiFeO<sub>3</sub> (BFO), BiFe<sub>0.95</sub>Cr<sub>0.05</sub>O<sub>3</sub> (BFO1), Bi<sub>0.95</sub>La<sub>0.05</sub>Fe<sub>0.95</sub>Cr<sub>0.05</sub>O<sub>3</sub> (BFO2), and Bi<sub>0.90</sub>La<sub>0.10</sub>Fe<sub>0.95</sub>Cr<sub>0.05</sub>O<sub>3</sub> (BFO3) were synthesized using a solid-state reaction method at 800 <sup>o</sup>C. The incorporation of La and Cr into BFO aims to enhance its structural properties for potential applications in electronic and magnetic devices. Systematic analysis using X-ray diffraction (XRD), and Raman spectroscopy reveals significant changes in the lattice parameters, grain size, and phase stability of the doped ceramics. The rhombohedral structure of pure BFO, with the <i>R</i>3<i>c</i> space group, was confirmed as the primary phase through X-ray diffraction and Raman spectroscopy. The crystallite size obtained from both Scherrer’s and W-H method suggested that BFO1 sample has larger crystallite growth with low strain which favour the formation of dense and compact crystals. Rietveld refinement was done for BFO and BFO1 samples using FullProf suite to further analyses the crystal structure which also confirms the presence of <i>R</i>3<i>c</i> phase. The lattice constants increase for BFO1 and cell density decreases which infers the decrease in crystallinity for BFO1 sample. La doping results in an increase in the lattice parameters and an improvement in the crystallinity of the material, while Cr doping induces notable changes in the phase composition and microstructure. The combined effects of La and Cr doping lead to a more pronounced alteration in the structural characteristics, which are discussed in terms of the underlying mechanisms governing these modifications. These findings provide valuable insights into optimizing the synthesis and performance of BiFeO<sub>3</sub> ceramics for advanced technological applications.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143564399","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
Tensile mechanical behavior of tungsten fiber network reinforced tungsten-copper composites: a numerical simulation study
IF 2.5 4区 材料科学
Applied Physics A Pub Date : 2025-03-06 DOI: 10.1007/s00339-025-08359-4
Longchao Zhuo, Xiao Qi, Bin Luo, Nan Liu, Bingqing Chen, Jiacheng Sun, Hao Wang
{"title":"Tensile mechanical behavior of tungsten fiber network reinforced tungsten-copper composites: a numerical simulation study","authors":"Longchao Zhuo,&nbsp;Xiao Qi,&nbsp;Bin Luo,&nbsp;Nan Liu,&nbsp;Bingqing Chen,&nbsp;Jiacheng Sun,&nbsp;Hao Wang","doi":"10.1007/s00339-025-08359-4","DOIUrl":"10.1007/s00339-025-08359-4","url":null,"abstract":"<div><p>Tungsten fiber mesh reinforced copper-tungsten composites exhibit great application potential in aerospace and other fields due to their excellent mechanical properties. However, the influence of fiber mesh structural parameters on the mechanical behavior of the material remains unclear, necessitating systematic micromechanical research. In this study, an improved random sequential adsorption (RSA) algorithm is proposed to innovatively construct a refined three-dimensional random fiber mesh micromechanical model. Numerical simulations are systematically conducted to investigate the tensile mechanical properties of the material. The effects of microstructural parameters, such as fiber mesh diameter (40–200 μm), mesh number (30–100), rotation angle (0-90 °), and cross angle (15-90 °), on the tensile strength, plasticity, and anisotropy of the composite are explored. The regulatory mechanism of fiber mesh orientation and matrix deformation coordination on the mechanical behavior of the composite is elucidated, and the origin of material failure is revealed to be stress and strain concentration at fiber mesh nodes. The results show that with increasing fiber mesh diameter and mesh number, the tensile strength of the composite significantly improves, reaching 710 MPa at a fiber diameter of 200 μm and a mesh number of 100, representing an increase of 41% and 26% respectively compared to the baseline case. Fiber mesh rotation and crossing significantly affect the mechanical anisotropy of the material, with optimal material performance achieved when the angle between the loading direction and the fiber mesh is 0 °; while it is poorest at 45 °, with a difference of 34 MPa in tensile strength. This study establishes a computational simulation research paradigm for random fiber mesh composite material structural design, performance evaluation, and mechanism elucidation, providing important theoretical guidance for material optimization design. The research findings expand the analysis ideas and research methods for the mechanical behavior of composites and hold great significance for promoting the widespread application of fiber mesh composites in aerospace and other fields.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143553725","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
NiO nanosheet-assembled chemiresistive sensor for NO2 detection
IF 2.5 4区 材料科学
Applied Physics A Pub Date : 2025-03-06 DOI: 10.1007/s00339-025-08320-5
Ravishankar R. Ambi, Rahul A. Mali, Aniket B. Pawar, Moshim M. Mulla, Raj K. Pittala
{"title":"NiO nanosheet-assembled chemiresistive sensor for NO2 detection","authors":"Ravishankar R. Ambi,&nbsp;Rahul A. Mali,&nbsp;Aniket B. Pawar,&nbsp;Moshim M. Mulla,&nbsp;Raj K. Pittala","doi":"10.1007/s00339-025-08320-5","DOIUrl":"10.1007/s00339-025-08320-5","url":null,"abstract":"<div><p>This paper presents the deposition of nickel oxide (NiO) nanosheets at 0.05, 0.075, 0.1, and 0.125 M solution concentrations by using economical approach of chemical bath deposition (CBD) technique. X-ray diffraction analysis verifies that NiO is polycrystalline with a cubic phase. For NiO film prepared at 0.1 M, FE-SEM and AFM analysis reveals the formation of porous micro-structured morphology of randomly oriented nanosheets and the surface roughness of 62.1 nm, respectively. XPS analysis reveals Ni<sup>2+</sup> oxidation state in Ni-2p spectra corresponding to the NiO with binding energy peaks at 854.2, 873.1, and 879.8 eV andNi<sup>3+</sup> at 855.7 and 861.2 eV for Ni<sub>2</sub>O<sub>3</sub>.NiO nanosheets sensing performance evaluated at sensing conditions of 200 °C to 100 ppm NO<sub>2</sub>showed32.2% response with <span>(:{text{T}}_{text{r}text{e}text{s}text{p}text{o}text{n}text{s}text{e}})</span> = 17 s and <span>(:{text{T}}_{text{r}text{e}text{c}text{o}text{v}text{e}text{r}text{y}})</span> = 150 s. The results suggest that NiO nanosheets made with the CBD process could be suitable options for commercial NO<sub>2</sub> sensing applications at 200 °C. Finally, NO<sub>2</sub> sensing mechanism of porous NiO microstructure made up of nanosheets is discussed.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143554149","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
Microwave-assisted rapid synthesis of yttrium iron garnet nano powders: formation mechanism and magnetic properties
IF 2.5 4区 材料科学
Applied Physics A Pub Date : 2025-03-06 DOI: 10.1007/s00339-025-08396-z
Peng Chen, Min Yang, Yue Wang, Xiayu Liu, Bingbing Wu, Xiaoli Song, Hui Sun, Junliang Liu, Lifeng Zhang
{"title":"Microwave-assisted rapid synthesis of yttrium iron garnet nano powders: formation mechanism and magnetic properties","authors":"Peng Chen,&nbsp;Min Yang,&nbsp;Yue Wang,&nbsp;Xiayu Liu,&nbsp;Bingbing Wu,&nbsp;Xiaoli Song,&nbsp;Hui Sun,&nbsp;Junliang Liu,&nbsp;Lifeng Zhang","doi":"10.1007/s00339-025-08396-z","DOIUrl":"10.1007/s00339-025-08396-z","url":null,"abstract":"<div><p>Microwave heat treatment has been employed instead of conventional heat treatment to rapidly synthesize yttrium iron garnet (YIG) nano powders based on chemical co-precipitation technique. Pure phase YIG powders can be formed in a short time, only 2 min with microwave heating temperatures above 850<sup>o</sup>C. As the microwave heating time was 10 min, the average particle size increased from about 34 to 88 nm. Owing to the microwave activation, the surface magnetic disordered phase content decreased and the powders achieved a high saturation magnetization of 30 emu/g. Taking advantages of microwave heating, the nucleation of YIG is promoted, and owing to the activated diffusion and chemical reactions in the precursor powders, the uniform growth of YIG particles is established. All these make contributions to the rapid formation of high-quality YIG nano powders.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143553723","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
DFT and experimental investigations on structural, electronic, thermoelectric, and optical properties of Zn doped PbS
IF 2.5 4区 材料科学
Applied Physics A Pub Date : 2025-03-06 DOI: 10.1007/s00339-025-08367-4
Muhammad Tauseef Qureshi, Umer Farooq, Ghazala Yunus, Abdul Moiz Mohammed, A. Wahab M. A. Hussein, Wajid Rehman, Surriya Bibi, Maria Khalil, Murtaza Saleem
{"title":"DFT and experimental investigations on structural, electronic, thermoelectric, and optical properties of Zn doped PbS","authors":"Muhammad Tauseef Qureshi,&nbsp;Umer Farooq,&nbsp;Ghazala Yunus,&nbsp;Abdul Moiz Mohammed,&nbsp;A. Wahab M. A. Hussein,&nbsp;Wajid Rehman,&nbsp;Surriya Bibi,&nbsp;Maria Khalil,&nbsp;Murtaza Saleem","doi":"10.1007/s00339-025-08367-4","DOIUrl":"10.1007/s00339-025-08367-4","url":null,"abstract":"<div><p>Pure PbS and Zn-doped thin films have been synthesized with chemical derived spin coating approach. The prepared films were explored by the combination of first principle based investigations and experimental findings. The simulations were executed by Weink2 computational code. The well crystallinized and pure cubic phase thin films were examined by the X-ray diffraction analysis. The scanning electron micrgraphs indicated uneven aggregated granular morphology of pure PbS films. However, the Zn doping effectively influenced the morphology with compact rods-like geometry leading to the formation of uniform thin rods in highly Zn-doped composition. Zn-doped PbS films revealed the main contribution of Pb–<i>s</i>, Pb-<i>f</i>, S-<i>p,</i> and Zn-<i>d</i> orbitals in the density of states spectra. A considerable reduction was observed in PbS band gap (≈ 1.17 eV) with an increase in the integration of Zn contents into PbS lattice. The thermoelectric characteristics were expressively changed with a rise in temperature and Zn doping contents. The maximum Zn-doped composition displayed the highest values of refractive index (≈ 3.24) and real epsilon (≈ 10.15) in experimental outcomes. The optical parameters were modulated with Zn doping demonstrating their suitability for optoelectronic applications.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"131 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143554148","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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