Multicomponent perovskite oxides enable simultaneous tailoring of multiple properties due to their highly tunable chemistries. In this paper, a novel high-entropy perovskite compound (Eu0.2Gd0.2Tb0.2Dy0.2Ho0.2)CrO3 is synthesized by the solid-state reaction method. The X-ray diffraction, scanning electron microscopy images and energy dispersive spectroscopy analysis in combination with the tolerance factor calculation demonstrate that the sample forms a single orthorhombic perovskite with a space group of Pbnm. Second-order antiferromagnetic-paramagnetic phase transition occured at around 4.2 K, confirmed by means of Arrott plot and normalization curve. The maximal magnetic entropy change shifted to the high temperature region with increasing the magnetic field, and reached 11.9 J/(kg·K) in the vicinity of 4 K at a magnetic field of 5 T. The maximum of temperature-averaged entropy change was 10.80 J/(kg·K), indicating that this type of material could be a potential candidate for low temperature magnetic refrigeration (< 20 K).
{"title":"Magnetic and magnetocaloric effects of high-entropy perovskite oxide (Eu0.2Gd0.2Tb0.2Dy0.2Ho0.2)CrO3 at low temperatures","authors":"Guoming Lv, Yuwei Li, Fangyuan Zhang, Hang Shentu, Xiukun Hu, Qiong Wu, Minxiang Pan, Nengjun Yu, Jieyang Fang, Hangfu Yang, Hongliang Ge","doi":"10.1007/s12034-025-03524-0","DOIUrl":"10.1007/s12034-025-03524-0","url":null,"abstract":"<div><p>Multicomponent perovskite oxides enable simultaneous tailoring of multiple properties due to their highly tunable chemistries. In this paper, a novel high-entropy perovskite compound (Eu<sub>0.2</sub>Gd<sub>0.2</sub>Tb<sub>0.2</sub>Dy<sub>0.2</sub>Ho<sub>0.2</sub>)CrO<sub>3</sub> is synthesized by the solid-state reaction method. The X-ray diffraction, scanning electron microscopy images and energy dispersive spectroscopy analysis in combination with the tolerance factor calculation demonstrate that the sample forms a single orthorhombic perovskite with a space group of Pbnm. Second-order antiferromagnetic-paramagnetic phase transition occured at around 4.2 K, confirmed by means of Arrott plot and normalization curve. The maximal magnetic entropy change shifted to the high temperature region with increasing the magnetic field, and reached 11.9 J/(kg·K) in the vicinity of 4 K at a magnetic field of 5 T. The maximum of temperature-averaged entropy change was 10.80 J/(kg·K), indicating that this type of material could be a potential candidate for low temperature magnetic refrigeration (< 20 K).</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"49 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147338291","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}
Pub Date : 2026-02-07DOI: 10.1007/s12034-026-03548-0
Azra Huner
Naphthoquinones and anthraquinones are widely used in biomedical applications owing to their bioactive properties. Consequently, the development of new methods for producing biomaterials containing these compounds is of significant interest. For efficient nanofiber production, the electroblowing method offers several advantages, as it is practical, easy to operate, and relatively low cost. In this study, nanofibers were produced by electroblowing using model naphthoquinone and anthraquinone compounds, including 2-(allylamino)-3-chloronaphthalene-1,4-dione, 1-chloroanthraquinone, and 1,8-dichloroanthraquinone, at concentrations of 1% and 3% by mass relative to poly(ε-caprolactone). These nanofibers, produced for the first time using the electroblowing technique, were characterized by FTIR, XRD, TGA, DTG, SEM, and EDS analyses. Their cytotoxicity was evaluated using the MTT assay. The results demonstrate that nanofibers incorporating different naphthoquinone and anthraquinone derivatives can be successfully produced as biomaterials using the electroblowing method.
{"title":"A novel electro-blown naphthoquinone-anthraquinone-poly(ε-caprolactone) nanofiber: Fabrication and characterization","authors":"Azra Huner","doi":"10.1007/s12034-026-03548-0","DOIUrl":"10.1007/s12034-026-03548-0","url":null,"abstract":"<div><p>Naphthoquinones and anthraquinones are widely used in biomedical applications owing to their bioactive properties. Consequently, the development of new methods for producing biomaterials containing these compounds is of significant interest. For efficient nanofiber production, the electroblowing method offers several advantages, as it is practical, easy to operate, and relatively low cost. In this study, nanofibers were produced by electroblowing using model naphthoquinone and anthraquinone compounds, including 2-(allylamino)-3-chloronaphthalene-1,4-dione, 1-chloroanthraquinone, and 1,8-dichloroanthraquinone, at concentrations of 1% and 3% by mass relative to poly(ε-caprolactone). These nanofibers, produced for the first time using the electroblowing technique, were characterized by FTIR, XRD, TGA, DTG, SEM, and EDS analyses. Their cytotoxicity was evaluated using the MTT assay. The results demonstrate that nanofibers incorporating different naphthoquinone and anthraquinone derivatives can be successfully produced as biomaterials using the electroblowing method.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"49 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147337753","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}
Pub Date : 2026-02-05DOI: 10.1007/s12034-025-03536-w
Vidya Saraswathi A, S Masilla Moses Kennedy, Karunakara Naregundi, A Princy, M I Sayyed, Sudha D Kamath
This study aims to compare dual luminescence characteristics of Ba2Al2SiO7 phosphors doped with Ce3+ and Dy3+ synthesised via a urea-assisted combustion process. X-ray diffraction (XRD) was employed to verify the unaltered polycrystalline structure following doping. Fourier-transform infrared (FTIR) spectroscopy showed that the host structure remains unchanged after doping. Scanning electron microscopy (SEM) showed that the particles were highly agglomerated and were unevenly shaped. The two dopants showed different emission profiles in photoluminescence (PL) measurements: Ce3+-activated phosphors showed broad blue emission from 5d→4f transitions following spin-orbit coupling, whereas Dy3+-doped samples showed distinctive blue, yellow and weak red emissions from 4F9/2 → 6H13/2 and 4F9/2 → 6H15/2 and 4F9/2 → 6H11/2, respectively. Significant differences in the thermal quenching behaviour were observed in temperature-dependent luminescence studies. Samples doped with Dy3+ only lost about 12% of their emission intensity as the temperature rose from 303 to 483 K, while phosphors doped with Ce3+ showed a more noticeable decrease of about 31% under the same circumstances. Optical thermometry applications are well suited for Dy3-doped phosphors due to their greater activation energy and quenching temperature (TQ). The comparison study suggests that Ce3+-doped Ba2Al2SiO7 may be a suitable blue-emitting phosphor for solid-state illumination. In comparison, Dy3+ doping provides dual functionality with improved temperature-dependent luminous performance. These results show that the development of multifunctional materials suitable for lighting and thermal sensing technologies is made possible by careful dopant selection in barium aluminosilicate matrices.
{"title":"Dual-function luminescence of Ce3+- and Dy3+-doped Ba2Al2SiO7 phosphors for solid-state lighting and optical thermometry: A comparative study","authors":"Vidya Saraswathi A, S Masilla Moses Kennedy, Karunakara Naregundi, A Princy, M I Sayyed, Sudha D Kamath","doi":"10.1007/s12034-025-03536-w","DOIUrl":"10.1007/s12034-025-03536-w","url":null,"abstract":"<div><p>This study aims to compare dual luminescence characteristics of Ba<sub>2</sub>Al<sub>2</sub>SiO<sub>7</sub> phosphors doped with Ce<sup>3+</sup> and Dy<sup>3+</sup> synthesised via a urea-assisted combustion process. X-ray diffraction (XRD) was employed to verify the unaltered polycrystalline structure following doping. Fourier-transform infrared (FTIR) spectroscopy showed that the host structure remains unchanged after doping. Scanning electron microscopy (SEM) showed that the particles were highly agglomerated and were unevenly shaped. The two dopants showed different emission profiles in photoluminescence (PL) measurements: Ce<sup>3+</sup>-activated phosphors showed broad blue emission from 5d→4f transitions following spin-orbit coupling, whereas Dy<sup>3+</sup>-doped samples showed distinctive blue, yellow and weak red emissions from <sup>4</sup>F<sub>9/2</sub> → <sup>6</sup>H<sub>13/2</sub> and <sup>4</sup>F<sub>9/2</sub> → <sup>6</sup>H<sub>15/2</sub> and <sup>4</sup>F<sub>9/2</sub> → <sup>6</sup>H<sub>11/2</sub>, respectively. Significant differences in the thermal quenching behaviour were observed in temperature-dependent luminescence studies. Samples doped with Dy<sup>3+</sup> only lost about 12% of their emission intensity as the temperature rose from 303 to 483 K, while phosphors doped with Ce<sup>3+</sup> showed a more noticeable decrease of about 31% under the same circumstances. Optical thermometry applications are well suited for Dy<sup>3</sup>-doped phosphors due to their greater activation energy and quenching temperature (<i>T</i><sub>Q</sub>). The comparison study suggests that Ce<sup>3+</sup>-doped Ba<sub>2</sub>Al<sub>2</sub>SiO<sub>7</sub> may be a suitable blue-emitting phosphor for solid-state illumination. In comparison, Dy<sup>3+</sup> doping provides dual functionality with improved temperature-dependent luminous performance. These results show that the development of multifunctional materials suitable for lighting and thermal sensing technologies is made possible by careful dopant selection in barium aluminosilicate matrices.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"49 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147337139","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}
Pub Date : 2026-02-05DOI: 10.1007/s12034-026-03550-6
Nguyen Van Hung, Nguyen Cong Toan
In this work Debye–Waller factors (DWF) and extended X-ray absorption fine structure (EXAFS) of bcc crystals have been studied based on the advanced anharmonic correlated Einstein model (AACEM). The many-body effect is included in all considered quantities based on a derived anharmonic effective potential including the first shell near-neighbor contributions to the vibrations between absorber and backscatter atoms. The Morse potential is assumed to describe the single-pair atomic interaction. The analytical expressions of temperature-dependent anharmonic DWFs presented in terms of cumulant expansion approach and thermal expansion coefficient have been derived based on quantum thermodynamic perturbation theory. The important advances in the AACEM are performed by calculating the anharmonic contribution to the second cumulant and the application of this AACEM to EXAFS creating an effective method for the accurate structural determination. The numerical results of Mo (bcc) agree well with the experimental values.
{"title":"Debye–Waller factors and EXAFS of bcc crystals based on advanced anharmonic correlated Einstein model","authors":"Nguyen Van Hung, Nguyen Cong Toan","doi":"10.1007/s12034-026-03550-6","DOIUrl":"10.1007/s12034-026-03550-6","url":null,"abstract":"<div><p>In this work Debye–Waller factors (DWF) and extended X-ray absorption fine structure (EXAFS) of bcc crystals have been studied based on the advanced anharmonic correlated Einstein model (AACEM). The many-body effect is included in all considered quantities based on a derived anharmonic effective potential including the first shell near-neighbor contributions to the vibrations between absorber and backscatter atoms. The Morse potential is assumed to describe the single-pair atomic interaction. The analytical expressions of temperature-dependent anharmonic DWFs presented in terms of cumulant expansion approach and thermal expansion coefficient have been derived based on quantum thermodynamic perturbation theory. The important advances in the AACEM are performed by calculating the anharmonic contribution to the second cumulant and the application of this AACEM to EXAFS creating an effective method for the accurate structural determination. The numerical results of Mo (bcc) agree well with the experimental values.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"49 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147337140","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}
<div><p>A great deal of research has been carried out on low-dimensional transition-metal dichalcogenides (TMDs) because of their versatile properties and numerous applications. Among TMDs, molybdenum ditelluride (MoTe<sub>2</sub>) has garnered significant attention as a ‘beyond graphene’ material because of its extraordinary structural and physical characteristics. To characterize the microstructural properties of low-dimensional TMDs, Raman spectroscopy can be adopted as a non-destructive characterization technique because of its various advantages. In this work, the impact of post-growth temperature and growth parameters of MoTe<sub>2</sub> was studied using Raman spectroscopy. Variations in Raman peak intensity were correlated with the formation and dissociation of Mo–Te bonds. With increasing growth temperature and duration, a transition in peak intensities was observed, typically characterized by a decrease in Te-related peaks and a relative increase in MoTe<sub>2</sub> peaks. As the growth duration increased, the Te Raman-active modes vanished and the MoTe<sub>2</sub> Raman-active modes appeared. The absence of MoTe<sub>2</sub> Raman peaks at low temperatures was attributed to insufficient thermal energy for crystallization. Films annealed at 625 °C for 1 h under the specified conditions did not exhibit tellurium peaks, indicating effective conversion to MoTe<sub>2</sub>; however, this outcome may vary with different annealing parameters. Longer annealing durations enhanced the intensity of the E<sup>1</sup><sub>2g</sub> and B<sup>1</sup><sub>2g</sub> Raman peaks, indicating improved crystallinity. As the number of layers increased with longer sputtering times, the E<sup>1</sup><sub>2g</sub> and B<sup>1</sup><sub>2g</sub> peaks shifted to lower wavenumbers, accompanied by a reduction in full width at half maximum (FWHM). Conversely, a decrease in MoTe<sub>2</sub> layers caused these peaks to shift to higher wavenumbers and the FWHM to broaden. X-ray diffraction (XRD) analysis revealed peaks at approximately 12.8°, 25.5°, 39.2°, and 53.2°, corresponding to the (002), (004), (006), and (008) planes, respectively. Atomic force microscopy (AFM) studies confirmed homogeneous film deposition, characterized by distinct hills and valleys on the surface. The current–voltage (I–V) study demonstrated the rectifying nature of the MoTe<sub>2</sub>/Si heterojunction, with a rectification ratio of approximately 10<sup>2</sup>. Further, the I–V and current–time (I–t) characteristics were evaluated under different infrared (IR) illumination conditions. The maximum responsivity and detectivity were found to be 1.59 A W<sup>−1</sup> and 2.2 × 10<sup>9</sup> jones, respectively, at an IR wavelength of 1060 nm. Additionally, the rise and fall times of the device were measured to be 0.98 s and 1.11 s, respectively, demonstrating its potential for IR detection applications. Hence, this extensive study of Raman-active modes in MoTe<sub>2</sub> provides valuable i
低维过渡金属二硫族化合物(TMDs)由于其多用途的特性和广泛的应用,引起了大量的研究。在tmd中,二碲化钼(MoTe2)由于其非凡的结构和物理特性,作为一种“超越石墨烯”的材料受到了极大的关注。为了表征低维tmd的微观结构特性,拉曼光谱由于其诸多优点,可以作为一种无损表征技术。本文利用拉曼光谱研究了生长后温度和生长参数对MoTe2的影响。拉曼峰强度的变化与Mo-Te键的形成和解离有关。随着生长温度和持续时间的增加,观察到峰强度的转变,典型特征是te相关峰的减少和MoTe2峰的相对增加。随着生长时间的延长,Te拉曼活性模式消失,MoTe2拉曼活性模式出现。低温下MoTe2拉曼峰的缺失是由于结晶所需的热能不足。在规定条件下625℃退火1h的薄膜未出现碲峰,表明有效转化为MoTe2;然而,这一结果可能随着退火参数的不同而变化。较长的退火时间增强了E12g和B12g拉曼峰的强度,表明结晶度有所提高。随着层数的增加和溅射时间的延长,E12g和B12g峰向更低的波数移动,并伴有半最大全宽度(FWHM)减小。相反,MoTe2层的减少导致这些峰向更高的波数移动,FWHM变宽。x射线衍射(XRD)分析显示,峰约在12.8°,25.5°,39.2°和53.2°,分别对应于(002),(004),(006)和(008)面。原子力显微镜(AFM)研究证实了均匀的薄膜沉积,其特征是表面有明显的丘陵和山谷。电流-电压(I-V)研究证明了MoTe2/Si异质结的整流性质,整流比约为102。此外,在不同的红外(IR)照明条件下,评估了I-V和电流-时间(I-t)特性。在1060 nm的红外波长处,最大响应度和探测率分别为1.59 A W−1和2.2 × 109 jones。此外,该器件的上升和下降时间分别为0.98 s和1.11 s,显示了其在红外探测应用中的潜力。因此,对MoTe2中拉曼有源模式的广泛研究为制造高质量低维基于tmd的高性能器件提供了有价值的见解。
{"title":"Investigation of Raman spectral characteristics with variation of RTP process parameters","authors":"Anurag Gartia, Diana Pradhan, Kiran Kumar Sahoo, Sameer Ranjan Biswal, Somesh Sabat, Tanmoy Parida, Raghvendra S Saxena, Pawan Kumar, Jyoti Prakash Kar","doi":"10.1007/s12034-026-03543-5","DOIUrl":"10.1007/s12034-026-03543-5","url":null,"abstract":"<div><p>A great deal of research has been carried out on low-dimensional transition-metal dichalcogenides (TMDs) because of their versatile properties and numerous applications. Among TMDs, molybdenum ditelluride (MoTe<sub>2</sub>) has garnered significant attention as a ‘beyond graphene’ material because of its extraordinary structural and physical characteristics. To characterize the microstructural properties of low-dimensional TMDs, Raman spectroscopy can be adopted as a non-destructive characterization technique because of its various advantages. In this work, the impact of post-growth temperature and growth parameters of MoTe<sub>2</sub> was studied using Raman spectroscopy. Variations in Raman peak intensity were correlated with the formation and dissociation of Mo–Te bonds. With increasing growth temperature and duration, a transition in peak intensities was observed, typically characterized by a decrease in Te-related peaks and a relative increase in MoTe<sub>2</sub> peaks. As the growth duration increased, the Te Raman-active modes vanished and the MoTe<sub>2</sub> Raman-active modes appeared. The absence of MoTe<sub>2</sub> Raman peaks at low temperatures was attributed to insufficient thermal energy for crystallization. Films annealed at 625 °C for 1 h under the specified conditions did not exhibit tellurium peaks, indicating effective conversion to MoTe<sub>2</sub>; however, this outcome may vary with different annealing parameters. Longer annealing durations enhanced the intensity of the E<sup>1</sup><sub>2g</sub> and B<sup>1</sup><sub>2g</sub> Raman peaks, indicating improved crystallinity. As the number of layers increased with longer sputtering times, the E<sup>1</sup><sub>2g</sub> and B<sup>1</sup><sub>2g</sub> peaks shifted to lower wavenumbers, accompanied by a reduction in full width at half maximum (FWHM). Conversely, a decrease in MoTe<sub>2</sub> layers caused these peaks to shift to higher wavenumbers and the FWHM to broaden. X-ray diffraction (XRD) analysis revealed peaks at approximately 12.8°, 25.5°, 39.2°, and 53.2°, corresponding to the (002), (004), (006), and (008) planes, respectively. Atomic force microscopy (AFM) studies confirmed homogeneous film deposition, characterized by distinct hills and valleys on the surface. The current–voltage (I–V) study demonstrated the rectifying nature of the MoTe<sub>2</sub>/Si heterojunction, with a rectification ratio of approximately 10<sup>2</sup>. Further, the I–V and current–time (I–t) characteristics were evaluated under different infrared (IR) illumination conditions. The maximum responsivity and detectivity were found to be 1.59 A W<sup>−1</sup> and 2.2 × 10<sup>9</sup> jones, respectively, at an IR wavelength of 1060 nm. Additionally, the rise and fall times of the device were measured to be 0.98 s and 1.11 s, respectively, demonstrating its potential for IR detection applications. Hence, this extensive study of Raman-active modes in MoTe<sub>2</sub> provides valuable i","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"49 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147336424","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}
Pub Date : 2026-02-02DOI: 10.1007/s12034-026-03541-7
Muhammad Iqbal Hussain, Maria Atiq, Esha Tul Razia, Syed Awais Rouf, Rabail Fatima, Syed Mansoor Ali, ZabnAllah M Alaizeri, Rajeh Alotaibi, Jamal Abdul Nasir
The exploration of suitable materials for energy-harvesting applications is a vital requirement in the present era of science and technology. In this work, we examine the structural, magnetic, optical, and mechanical properties, as well as the phonon spectra, of the perovskites CoXO3 (X = Rh, Ir) using the PBE+TB-mBJ functional implemented within the DFT-based WIEN2k code. In the cubic phase, the calculated lattice constants are 3.8436 Å for CoRhO3 and 3.8630 Å for CoIrO3, with lattice angles α = β = γ = 90°. CoRhO3 exhibits an indirect band gap of 2.29 eV, whereas CoIrO3, counterintuitively, shows metallic behavior. Total density-of-states analysis reveals that Co and O atoms predominantly contribute to the formation of both valence and conduction bands in these compounds. The elastic constants, derived using the Voigt–Reuss–Hill approximation, yield Young’s modulus values of 13.07 GPa for CoRhO3 and 13.64 GPa for CoIrO3. The Poisson’s ratio and elastic anisotropy indicate inherent ductility in both materials, ensuring considerable deformability before fracture. Additionally, the complex dielectric function, refractive index, extinction coefficient, absorption coefficient, optical conductivity, reflectivity, and energy-loss function have been evaluated. The appearance of imaginary frequencies in the phonon dispersion curves suggests that certain vibrational modes are dynamically unstable in the cubic phase. Overall, this comprehensive computational investigation highlights these compounds as promising candidates for future experimental synthesis and practical deployment in optoelectronic and related technologies.
{"title":"Computational exploration of the structural stability, magnetic, optical, mechanical properties, and phonon spectra of novel perovskites CoXO3 (X = Rh, Ir) for optoelectronic applications","authors":"Muhammad Iqbal Hussain, Maria Atiq, Esha Tul Razia, Syed Awais Rouf, Rabail Fatima, Syed Mansoor Ali, ZabnAllah M Alaizeri, Rajeh Alotaibi, Jamal Abdul Nasir","doi":"10.1007/s12034-026-03541-7","DOIUrl":"10.1007/s12034-026-03541-7","url":null,"abstract":"<div><p>The exploration of suitable materials for energy-harvesting applications is a vital requirement in the present era of science and technology. In this work, we examine the structural, magnetic, optical, and mechanical properties, as well as the phonon spectra, of the perovskites CoXO<sub>3</sub> (X = Rh, Ir) using the PBE+TB-mBJ functional implemented within the DFT-based WIEN2k code. In the cubic phase, the calculated lattice constants are 3.8436 Å for CoRhO<sub>3</sub> and 3.8630 Å for CoIrO<sub>3</sub>, with lattice angles α = β = γ = 90°. CoRhO<sub>3</sub> exhibits an indirect band gap of 2.29 eV, whereas CoIrO<sub>3</sub>, counterintuitively, shows metallic behavior. Total density-of-states analysis reveals that Co and O atoms predominantly contribute to the formation of both valence and conduction bands in these compounds. The elastic constants, derived using the Voigt–Reuss–Hill approximation, yield Young’s modulus values of 13.07 GPa for CoRhO<sub>3</sub> and 13.64 GPa for CoIrO<sub>3</sub>. The Poisson’s ratio and elastic anisotropy indicate inherent ductility in both materials, ensuring considerable deformability before fracture. Additionally, the complex dielectric function, refractive index, extinction coefficient, absorption coefficient, optical conductivity, reflectivity, and energy-loss function have been evaluated. The appearance of imaginary frequencies in the phonon dispersion curves suggests that certain vibrational modes are dynamically unstable in the cubic phase. Overall, this comprehensive computational investigation highlights these compounds as promising candidates for future experimental synthesis and practical deployment in optoelectronic and related technologies.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"49 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147335973","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}
Pub Date : 2026-01-30DOI: 10.1007/s12034-026-03547-1
Kelin Carvalho Hau, Matheus Vinicius Gregory Zimmermann, Marina Kauling de Almeida, Lara Vasconcellos Ponsoni, Noeli Sellin
Many companies that manufacture multilayer packaging frequently report failures in continuous inkjet (CIJ) coding, resulting in environmental and economic impacts. This study evaluated the parameters influencing the adhesion of three commonly used CIJ inks, considering the wettability, surface morphology, and chemical composition of the packaging surfaces. Three substrates were investigated: a poly(ethylene terephthalate) (PET) and polyethylene (PE) blend, both with and without corona treatment. The packaging materials were characterized by Fourier transform infrared spectroscopy with attenuated total reflectance (FTIR–ATR), X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), contact angle measurements, and surface tension analysis. Ink adhesion was evaluated using the tape peel test in accordance with the FINAT FTM21 standard. The results indicate that PET exhibited favorable surface properties, including higher surface tension (37.4 dynes/cm) and a lower water contact angle (76.8°), resulting in adhesion grade 1 (no ink removal). In contrast, the PE blend showed only a slight increase in surface oxygen content after corona treatment (from 0.46 to 0.80 at%), a modest increase in surface tension (from 29.9 to 31.9 dynes/cm), and a small reduction in water contact angle (from 99.6° to 91.8°). These changes were insufficient to ensure effective ink anchoring, and PE blend samples, both treated and untreated, exhibited severe ink removal (>60%), corresponding to adhesion grade 5. This behavior may be associated with the inefficiency of the corona treatment process employed.
{"title":"Surface adhesion of inkjet printing on HDPE/LDPE and LDPE/PET multilayer packaging","authors":"Kelin Carvalho Hau, Matheus Vinicius Gregory Zimmermann, Marina Kauling de Almeida, Lara Vasconcellos Ponsoni, Noeli Sellin","doi":"10.1007/s12034-026-03547-1","DOIUrl":"10.1007/s12034-026-03547-1","url":null,"abstract":"<div><p>Many companies that manufacture multilayer packaging frequently report failures in continuous inkjet (CIJ) coding, resulting in environmental and economic impacts. This study evaluated the parameters influencing the adhesion of three commonly used CIJ inks, considering the wettability, surface morphology, and chemical composition of the packaging surfaces. Three substrates were investigated: a poly(ethylene terephthalate) (PET) and polyethylene (PE) blend, both with and without corona treatment. The packaging materials were characterized by Fourier transform infrared spectroscopy with attenuated total reflectance (FTIR–ATR), X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), contact angle measurements, and surface tension analysis. Ink adhesion was evaluated using the tape peel test in accordance with the FINAT FTM21 standard. The results indicate that PET exhibited favorable surface properties, including higher surface tension (37.4 dynes/cm) and a lower water contact angle (76.8°), resulting in adhesion grade 1 (no ink removal). In contrast, the PE blend showed only a slight increase in surface oxygen content after corona treatment (from 0.46 to 0.80 at%), a modest increase in surface tension (from 29.9 to 31.9 dynes/cm), and a small reduction in water contact angle (from 99.6° to 91.8°). These changes were insufficient to ensure effective ink anchoring, and PE blend samples, both treated and untreated, exhibited severe ink removal (>60%), corresponding to adhesion grade 5. This behavior may be associated with the inefficiency of the corona treatment process employed.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"49 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146083113","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}
Pub Date : 2026-01-27DOI: 10.1007/s12034-025-03539-7
G Jayalakshmi, K Saravanan
In the present study, we extensively studied the phonon and magnon excitations in nickel oxide (NiO) and Ni/NiO hybrid nanostructures using Raman scattering analyses. The NiO nanostructures were synthesized by facile hydrothermal route and annealed under air and argon (Ar) atmosphere at 800°C. Interestingly, Ar annealed NiO nanostructure shows fine sized particles and the formation of Ni/NiO hybrid. The morphological, structural and phonon vibrational modes of the synthesized nanostructures were investigated by transmission electron microscopy (TEM), grazing incident X-ray diffraction (GIXRD), and Raman scattering techniques. The TEM and GIXRD measurements confirm the formation of face centered cubic phase in NiO and Ni/NiO nanostructures. The surface optical phonon mode is observed in both NiO and Ni/NiO hybrid nanostructure and its theoretical peak positions are estimated using dielectric continuum model. Magnon modes do not appear in Ni/NiO nanostructure, which could be correlated to the reduction in the spin correlated length and super exchange interactions due to the symmetry breaking in the next nearest neighbor of Ni2+ ions in the linear atomic chain, Ni2+–O2−–Ni2+ of the crystal lattice.
{"title":"Phonon and magnon excitations in NiO and Ni/NiO hybrid nanostructures: a comparative Raman scattering study","authors":"G Jayalakshmi, K Saravanan","doi":"10.1007/s12034-025-03539-7","DOIUrl":"10.1007/s12034-025-03539-7","url":null,"abstract":"<div><p>In the present study, we extensively studied the phonon and magnon excitations in nickel oxide (NiO) and Ni/NiO hybrid nanostructures using Raman scattering analyses. The NiO nanostructures were synthesized by facile hydrothermal route and annealed under air and argon (Ar) atmosphere at 800°C. Interestingly, Ar annealed NiO nanostructure shows fine sized particles and the formation of Ni/NiO hybrid. The morphological, structural and phonon vibrational modes of the synthesized nanostructures were investigated by transmission electron microscopy (TEM), grazing incident X-ray diffraction (GIXRD), and Raman scattering techniques. The TEM and GIXRD measurements confirm the formation of face centered cubic phase in NiO and Ni/NiO nanostructures. The surface optical phonon mode is observed in both NiO and Ni/NiO hybrid nanostructure and its theoretical peak positions are estimated using dielectric continuum model. Magnon modes do not appear in Ni/NiO nanostructure, which could be correlated to the reduction in the spin correlated length and super exchange interactions due to the symmetry breaking in the next nearest neighbor of Ni<sup>2+</sup> ions in the linear atomic chain, Ni<sup>2+</sup>–O<sup>2−</sup>–Ni<sup>2+</sup> of the crystal lattice.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"49 1","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146082553","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}
Pub Date : 2026-01-24DOI: 10.1007/s12034-025-03527-x
Thiruvenkatam Subramaniam, Aswin Ramesh, Krishnaveni B S, Devaraj S
The spread of COVID-19 led to a huge increase in the generation of polypropylene-based surgical face masks (SFMs) worldwide, leading to landfills and causing severe pollution of resources and the atmosphere when incinerated. In addition, the current treatment methods yield minimal carbon. Therefore, there is a growing need to upcycle waste SFMs into value-added products through safe and environmentally benign processes. In this study, waste SFMs were upcycled into activated carbon (AC) through a series of processes including sulfonation, pre-carbonization and activation with KOH at varying temperatures. The surface functionalities and textural properties of the resulting AC samples were thoroughly characterized using vibrational spectroscopy, N2 sorption and microscopic studies. As the activation temperature increased, the porosity and surface area of the AC also increased. Notably, AC derived from SFMs upcycled at an activation temperature of 950°C (AC-950) exhibits an exceptionally high surface area of 2163 m2 g−1, promising oxygen reduction reaction (ORR) activity (high onset potential of 932 mV and limiting current density of 16.6 mA cm−2), comparable to the benchmark Pt/C electrocatalyst. In addition, it displays a commendable supercapacitor behaviour (specific capacitance of 236 F g−1 at 1 A g−1, good rate retention and cycle-life).