Materials Science and Engineering: B最新文献

英文中文

Investigating the effect and structural properties of Graphene and Borophene on lead-free perovskite: Introducing the Graphene/CsSnCl3/Borophene

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B

Pub Date : 2025-02-20 DOI: 10.1016/j.mseb.2025.118138

Nader Ahmadvand, Ebrahim Mohammadi-Manesh, Fatemeh Divakan

In this research, the effect of the presence of Graphene and Borophene layers on CsSnCl₃ and the performance of the Graphene/CsSnCl₃/Borophene solar cell has been investigated. New hybrid structures consisting of Graphene, CsSnCl₃ perovskite, and Borophene (GPB) have been introduced with the aim of presenting a suitable structure for use in solar cells, sensors and photovoltaic devices. The results of this study, the presence of Graphene and Borophene in GPB can reduce the bandgap by about 2 eV compared to single CsSnCl₃. The optical absorption of GPB is approximately three times higher than that of CsSnCl₃. The refractive index, reflectivity, extinction coefficient, and electrical susceptibility of GPB have also been calculated, yielding noteworthy results for these parameters. From a morphological perspective, bond lengths also appear to undergo changes. In fact, the layers of Graphene and Borophene modify quantum confinement on charge carriers and limit their degrees of freedom. The results of the dielectric function analysis indicate a relationship between energy loss and structural anisotropy, which can be attributed to the presence of Borophene. Structural anisotropy in GPB could be key to the selective propagation of electromagnetic waves through the composite. The optical bandgap of the composite was calculated using the Tauc and DASF methods, and comparing the results with reports on CsSnCl₃ shows an increase in this quantity in the introduced composite. Simulations based on density functional theory (DFT) and SCAPS-1D show promising performance for the proposed solar cell GPB/CdS/SnOx.

{"title":"Investigating the effect and structural properties of Graphene and Borophene on lead-free perovskite: Introducing the Graphene/CsSnCl3/Borophene","authors":"Nader Ahmadvand, Ebrahim Mohammadi-Manesh, Fatemeh Divakan","doi":"10.1016/j.mseb.2025.118138","DOIUrl":"10.1016/j.mseb.2025.118138","url":null,"abstract":"<div><div>In this research, the effect of the presence of Graphene and Borophene layers on CsSnCl3 and the performance of the Graphene/CsSnCl3/Borophene solar cell has been investigated. New hybrid structures consisting of Graphene, CsSnCl3 perovskite, and Borophene (GPB) have been introduced with the aim of presenting a suitable structure for use in solar cells, sensors and photovoltaic devices. The results of this study, the presence of Graphene and Borophene in GPB can reduce the bandgap by about 2 eV compared to single CsSnCl3. The optical absorption of GPB is approximately three times higher than that of CsSnCl3. The refractive index, reflectivity, extinction coefficient, and electrical susceptibility of GPB have also been calculated, yielding noteworthy results for these parameters. From a morphological perspective, bond lengths also appear to undergo changes. In fact, the layers of Graphene and Borophene modify quantum confinement on charge carriers and limit their degrees of freedom. The results of the dielectric function analysis indicate a relationship between energy loss and structural anisotropy, which can be attributed to the presence of Borophene. Structural anisotropy in GPB could be key to the selective propagation of electromagnetic waves through the composite. The optical bandgap of the composite was calculated using the Tauc and DASF methods, and comparing the results with reports on CsSnCl3 shows an increase in this quantity in the introduced composite. Simulations based on density functional theory (DFT) and SCAPS-1D show promising performance for the proposed solar cell GPB/CdS/SnOx.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118138"},"PeriodicalIF":3.9,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Optoelectronic and transport response of double perovskites Na2AuMX6 (M = Al, Ga, and X = Br, I) for energy harvesting: A DFT investigation

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B

Pub Date : 2025-02-20 DOI: 10.1016/j.mseb.2025.118133

Ahmad Ayyaz , Hissah Saedoon Albaqawi , Fekhra Hedhili , Q. Mahmood , Shereen M. Al-Shomar , Nwuyer A. Al-Shammari

In the current article, the structural configuration, elastic behaviour, optoelectronic response, as well as thermoelectric features of the novel double perovskites Na₂AuMX₆ (M = Al, Ga, and X = Br, I) have been thoroughly investigated. The stability in the cubic phase of Na₂AuAlBr₆, Na₂AuAlI₆, Na₂AuGaBr₆, and Na₂AuGaI₆ has been verified by tolerance factor prediction. The elastic factors have proposed the mechanical stability, ductility, and anisotropic response of the investigated compounds. The electronic attributes computations verified the existence of a direct band gap (E_g). The compounds Na₂AuAlBr₆, Na₂AuAlI₆, Na₂AuGaBr₆, and Na₂AuGaI₆ have an E_g of 1.82 eV, 0.45 eV, 1.53 eV, and 0.22 eV, respectively. This study further specifically emphasizes the screening of photon absorption, polarizability, refraction of light, reflection, and loss factor. The optical characteristics of Na₂AuAlBr₆ and Na₂AuGaBr₆ are suitable for solar cells due to the visible light absorption features. Meanwhile, the optical aspects of Na₂AuAlI₆ and Na₂AuGaI₆ are compatible with optoelectronic applications due to infrared absorption of light. The thermoelectric features are obtained using the BoltzTraP code, which showed that the highest ZT values are ascertained to be 0.79, 0.76, 0.71, and 0.76, respectively, for the studied materials. Based on this analysis, these materials have provided theoretical evidence and future recommendations for implications in solar cells, optoelectronics, and thermoelectric technologies.

{"title":"Optoelectronic and transport response of double perovskites Na2AuMX6 (M = Al, Ga, and X = Br, I) for energy harvesting: A DFT investigation","authors":"Ahmad Ayyaz , Hissah Saedoon Albaqawi , Fekhra Hedhili , Q. Mahmood , Shereen M. Al-Shomar , Nwuyer A. Al-Shammari","doi":"10.1016/j.mseb.2025.118133","DOIUrl":"10.1016/j.mseb.2025.118133","url":null,"abstract":"<div><div>In the current article, the structural configuration, elastic behaviour, optoelectronic response, as well as thermoelectric features of the novel double perovskites Na2AuMX6 <!-->(M = Al, Ga, and X = Br, I) have been thoroughly investigated. The stability in the cubic phase of Na2AuAlBr6, Na2AuAlI6, Na2AuGaBr6, and Na2AuGaI6 has been verified by tolerance factor prediction. The elastic factors have proposed the mechanical stability, ductility, and anisotropic response of the investigated compounds. The electronic attributes computations verified the existence of a direct band gap (Eg). The compounds Na2AuAlBr6, Na2AuAlI6, Na2AuGaBr6, and Na2AuGaI6 have an Eg of 1.82 eV, 0.45 eV, 1.53 eV, and 0.22 eV, respectively. This study further specifically emphasizes the screening of photon absorption, polarizability, refraction of light, reflection, and loss factor. The optical characteristics of Na2AuAlBr6 and Na2AuGaBr6 are suitable for solar cells due to the visible light absorption features. Meanwhile, the optical aspects of Na2AuAlI6 and Na2AuGaI6 are compatible with optoelectronic applications due to infrared absorption of light. The thermoelectric features are obtained using the BoltzTraP code, which showed that the highest ZT values are ascertained to be 0.79, 0.76, 0.71, and 0.76, respectively, for the studied materials. Based on this analysis, these materials have provided theoretical evidence and future recommendations for implications in solar cells, optoelectronics, and thermoelectric technologies.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118133"},"PeriodicalIF":3.9,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Exploration of Eco-Friendly multifunctional material: Investigating the Structural, Electrical, and multiferroic properties of Bi(Cd2/5Ti2/5Fe1/5)O3

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B

Pub Date : 2025-02-20 DOI: 10.1016/j.mseb.2025.118101

Nitin Kumar , Alok Shukla , Nripesh Kumar , RNP Choudhary

This study employed the solid-state reaction process to synthesize an eco-friendly multifunctional material, Bi(Cd_2/5Ti_2/5Fe_1/5)O_3, with cadmium-titanium substitution. The structural, morphological, electrical, ferroelectric, magnetic, and leakage current studies were carried out by the powder X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), impedance analyzer, loop-tracer, vibrating sample magnetometer (VSM) and electrometer to investigate the influence of Cd/Ti doping in BiFeO₃ simultaneously. The XRD analysis confirmed the formation of orthorhombic phase symmetry with a minor existence of secondary phases. Energy dispersive spectroscopy and FE-SEM analysis were performed to evaluate the quantitative and micro-structural evaluation of the material. The complex impedance approach is also performed to recognize the grain and grain boundary influences with their electrical properties. Furthermore, multifunctional features such as electrical, ferroelectric, and ferromagnetic parameters clearly emphasize the suitable substitution of Cd and Ti, which could enhance properties and be considered promising materials for new electronic devices.

{"title":"Exploration of Eco-Friendly multifunctional material: Investigating the Structural, Electrical, and multiferroic properties of Bi(Cd2/5Ti2/5Fe1/5)O3","authors":"Nitin Kumar , Alok Shukla , Nripesh Kumar , RNP Choudhary","doi":"10.1016/j.mseb.2025.118101","DOIUrl":"10.1016/j.mseb.2025.118101","url":null,"abstract":"<div><div>This study employed the solid-state reaction process to synthesize an eco-friendly multifunctional material, Bi(Cd2/5Ti2/5Fe1/5)O3, with cadmium-titanium substitution. The structural, morphological, electrical, ferroelectric, magnetic, and leakage current studies were carried out by the powder X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), impedance analyzer, loop-tracer, vibrating sample magnetometer (VSM) and electrometer to investigate the influence of Cd/Ti doping in BiFeO3 simultaneously. The XRD analysis confirmed the formation of orthorhombic phase symmetry with a minor existence of secondary phases. Energy dispersive spectroscopy and FE-SEM analysis were performed to evaluate the quantitative and micro-structural evaluation of the material. The complex impedance approach is also performed to recognize the grain and grain boundary influences with their electrical properties. Furthermore, multifunctional features such as electrical, ferroelectric, and ferromagnetic parameters clearly emphasize the suitable substitution of Cd and Ti, which could enhance properties and be considered promising materials for new electronic devices.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118101"},"PeriodicalIF":3.9,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143455075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Unraveling the effect of Al-doping on the local structure and the photoluminescence of CaTiO3:Pr nanophosphor

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B

Pub Date : 2025-02-19 DOI: 10.1016/j.mseb.2025.118125

Guilherme Kubo Ribeiro , Thiago Ardana Chaim , Maria Inês Basso Bernardi , Antonio Carlos Roveda Junior , Adriano José Galvani Otuka , Fabio Simões de Vicente , Alexandre Mesquita

Phosphors are inorganic materials that produce visible light when stimulated by external energy sources and have found applications in a wide range of technologies. CaTiO₃:Pr³⁺ emerges as a promising phosphor material with an intense emission due to ¹D₂ - ³H₄ transition of the rare-earth ion very close to the ideal red. Various strategies have been employed to enhance this emission, such as heterovalent substitution of Ti⁴⁺ ions for Al³⁺ ions. However, the mechanism for charge compensation in this case is not well described in the literature. In this study, Ca_0.998Pr_0.002Ti_1-_xAl_xO₃ (CPTA) nanophosphor samples were synthesized by the polymeric precursor method with Pbnm space group without spurious phases. X-ray absorption near edge structure (XANES) spectra at Ti K- and L_II,III-edges do not show disorder inside TiO₆ octahedra as Al atoms are incorporated into lattice, which is corroborated by extended X-ray absorption fine structure (EXAFS) analysis at K-edge of the same element. These XANES spectra also indicates the absence of Ti³⁺ ions, confirmed by electron paramagnetic resonance (EPR) measurements. On the other hand, XANES spectra at O K-edge and calculated projected density of states, as well as Raman spectra, show that Al incorporation cause a symmetry breaking at the local structure due to the formation of O vacancies. These vacancies originate a reduction of intensity values in photoluminescent red emission because of the quenching in Pr ions with addition of Al atoms at CaTiO₃ structure.

{"title":"Unraveling the effect of Al-doping on the local structure and the photoluminescence of CaTiO3:Pr nanophosphor","authors":"Guilherme Kubo Ribeiro , Thiago Ardana Chaim , Maria Inês Basso Bernardi , Antonio Carlos Roveda Junior , Adriano José Galvani Otuka , Fabio Simões de Vicente , Alexandre Mesquita","doi":"10.1016/j.mseb.2025.118125","DOIUrl":"10.1016/j.mseb.2025.118125","url":null,"abstract":"<div><div>Phosphors are inorganic materials that produce visible light when stimulated by external energy sources and have found applications in a wide range of technologies. CaTiO3:Pr3+ emerges as a promising phosphor material with an intense emission due to 1D2 - 3H4 transition of the rare-earth ion very close to the ideal red. Various strategies have been employed to enhance this emission, such as heterovalent substitution of Ti4+ ions for Al3+ ions. However, the mechanism for charge compensation in this case is not well described in the literature. In this study, Ca0.998Pr0.002Ti1-xAlxO3 (CPTA) nanophosphor samples were synthesized by the polymeric precursor method with Pbnm space group without spurious phases. X-ray absorption near edge structure (XANES) spectra at Ti K- and LII,III-edges do not show disorder inside TiO6 octahedra as Al atoms are incorporated into lattice, which is corroborated by extended X-ray absorption fine structure (EXAFS) analysis at K-edge of the same element. These XANES spectra also indicates the absence of Ti3+ ions, confirmed by electron paramagnetic resonance (EPR) measurements. On the other hand, XANES spectra at O K-edge and calculated projected density of states, as well as Raman spectra, show that Al incorporation cause a symmetry breaking at the local structure due to the formation of O vacancies. These vacancies originate a reduction of intensity values in photoluminescent red emission because of the quenching in Pr ions with addition of Al atoms at CaTiO3 structure.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118125"},"PeriodicalIF":3.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Mechanical, optoelectronic, and transport characteristics of stable halide double perovskites K2TlSbY6 (Y = Cl, Br, and I): First principles approach

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B

Pub Date : 2025-02-19 DOI: 10.1016/j.mseb.2025.118134

Ahmad Ayyaz , Saqlain A. Dar , Imed Boukhris , Radhakrishnan Anbarasan , Murefah mana Al-Anazy , N. Sfina , Q. Mahmood

This article reported the mechanical attributes, thermodynamic properties, optoelectronic aspects, and transport characteristics of K₂TlSbY₆ (Y=Cl, Br, and I), for which first principles computation was employed. We have determined the crystal structure’s stability by utilizing the tolerance factor. Calculations of formation energy and ab initio molecular dynamics (AIMD) are being conducted to evaluate the thermal stability of the examined materials. Mechanical stability has been predicted by calculating the elastic constants. The elastic parameters have been governed to investigate the ductility, stiffness, and anisotropy to verify the suitability of these materials for long-term reliable and flexible devices. Thermodynamic features have been ascertained, encompassing acoustic wave velocities, Debye temperature, and melting point. The analysis of electronic characteristics revealed direct band gaps of 1.35 eV, 1.05 eV, and 0.89 eV, K₂TlSbCl_6, K₂TlSbBr_6, and K₂TlSbI₆, respectively. The band gap value is within the acceptable range of semiconductors suitable for solar cell applications. The calculated optical parameters between 0 and 6 eV suggest the appropriateness for solar cell applications. The carrier transport characteristics, power factor, as well as the Figure of merit (ZT) have been evaluated to assess the ability of K₂TlSbY₆ (Y=Cl, Br, and I) materials to convert thermal energy into useful electric power. Hence, this study’s detailed exploration of K₂TlSbY₆ perovskites provides theoretical evidence of suitability for solar cells and optoelectronic and thermoelectric devices.

{"title":"Mechanical, optoelectronic, and transport characteristics of stable halide double perovskites K2TlSbY6 (Y = Cl, Br, and I): First principles approach","authors":"Ahmad Ayyaz , Saqlain A. Dar , Imed Boukhris , Radhakrishnan Anbarasan , Murefah mana Al-Anazy , N. Sfina , Q. Mahmood","doi":"10.1016/j.mseb.2025.118134","DOIUrl":"10.1016/j.mseb.2025.118134","url":null,"abstract":"<div><div>This article reported the mechanical attributes, thermodynamic properties, optoelectronic aspects, and transport characteristics of K2TlSbY6 (Y=Cl, Br, and I), for which first principles computation was employed. We have determined the crystal structure’s stability by utilizing the tolerance factor. Calculations of formation energy and ab initio molecular dynamics (AIMD) are being conducted to evaluate the thermal stability of the examined materials. Mechanical stability has been predicted by calculating the elastic constants. The elastic parameters have been governed to investigate the ductility, stiffness, and anisotropy to verify the suitability of these materials for long-term reliable and flexible devices. Thermodynamic features have been ascertained, encompassing acoustic wave velocities, Debye temperature, and melting point. The analysis of electronic characteristics revealed direct band gaps of 1.35 eV, 1.05 eV, and 0.89 eV, K2TlSbCl6, K2TlSbBr6, and K2TlSbI6, respectively. The band gap value is within the acceptable range of semiconductors suitable for solar cell applications. The calculated optical parameters between 0 and 6 eV suggest the appropriateness for solar cell applications. The carrier transport characteristics, power factor, as well as the Figure of merit (ZT) have been evaluated to assess the ability of K2TlSbY6 (Y=Cl, Br, and I) materials to convert thermal energy into useful electric power. Hence, this study’s detailed exploration of K2TlSbY6 perovskites provides theoretical evidence of suitability for solar cells and optoelectronic and thermoelectric devices.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118134"},"PeriodicalIF":3.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Influence of chemical composition and mechanical strain on the ferroelectricity of freestanding Hf1-xZrxO2 membranes

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B

Pub Date : 2025-02-19 DOI: 10.1016/j.mseb.2025.118123

Yue Guan, Xiaowei Wang, Fengbo Yan, Miao Meng, Shuai Ning, Feng Luo

Freestanding Hf_1-_xZr_xO₂ (HZO) membranes have received considerable attention for their potential in flexible electronics applications. The relaxation of substrate clamping usually results in the emergence of non-ferroelectric phases, which leads to a reduction in remanent polarization (P_r). In this study, by optimizing the chemical composition and appropriately increasing the Zr content (x), the ferroelectric properties are significantly enhanced, with a 10-nm-thick HZO membrane achieving a 2P_r of approximately 59 μC/cm². Furthermore, in situ morphological, structural and electrical measurements under uniaxial tensile strains are conducted on freestanding HZO membranes by using a custom-built stretching stage. At a strain as low as 0.05%, the ferroelectricity is slightly diminished, indicating a small degree of strain-induced phase transformations, although the external mechanical strain is largely mitigated by the formation of cracks. The mechanical damages to the membranes can gradually increase with cyclic strains (0.05%), eventually leading to complete membrane failure after just a few cycles. This suggests that the HZO membranes exhibit poor durability under mechanical stretching, even at such a low strain level (0.05%). Therefore, further research is required to improve the stretching stability of freestanding HZO membranes.

{"title":"Influence of chemical composition and mechanical strain on the ferroelectricity of freestanding Hf1-xZrxO2 membranes","authors":"Yue Guan, Xiaowei Wang, Fengbo Yan, Miao Meng, Shuai Ning, Feng Luo","doi":"10.1016/j.mseb.2025.118123","DOIUrl":"10.1016/j.mseb.2025.118123","url":null,"abstract":"<div><div>Freestanding Hf1-xZrxO2 (HZO) membranes have received considerable attention for their potential in flexible electronics applications. The relaxation of substrate clamping usually results in the emergence of non-ferroelectric phases, which leads to a reduction in remanent polarization (Pr). In this study, by optimizing the chemical composition and appropriately increasing the Zr content (x), the ferroelectric properties are significantly enhanced, with a 10-nm-thick HZO membrane achieving a 2Pr of approximately 59 μC/cm2. Furthermore, in situ morphological, structural and electrical measurements under uniaxial tensile strains are conducted on freestanding HZO membranes by using a custom-built stretching stage. At a strain as low as 0.05%, the ferroelectricity is slightly diminished, indicating a small degree of strain-induced phase transformations, although the external mechanical strain is largely mitigated by the formation of cracks. The mechanical damages to the membranes can gradually increase with cyclic strains (0.05%), eventually leading to complete membrane failure after just a few cycles. This suggests that the HZO membranes exhibit poor durability under mechanical stretching, even at such a low strain level (0.05%). Therefore, further research is required to improve the stretching stability of freestanding HZO membranes.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118123"},"PeriodicalIF":3.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Microscopic modeling of polarization dynamics in leaky dielectrics: Insights into ferroelectric-like behavior

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B

Pub Date : 2025-02-18 DOI: 10.1016/j.mseb.2025.118089

Igor Ricardo Filgueira e Silva , Ovidiu Lipan , Fabian Hartmann , Sven Höfling , Victor Lopez-Richard

Based on a microscopic model of nonequilibrium carrier generation in a leaky dielectric, we analytically derive hysteresis loops for the dielectric response of non-polar, non-ferroelectric materials. We demonstrate how complex dielectric responses can emerge solely from the influence of transport processes that depend on energy levels, voltage polarity, and asymmetries in charge transfer rates. By combining Electrochemical Impedance Spectroscopy and voltammetry, we address critical questions related to the microscopic mechanisms in poorly conductive systems dominated by displacement currents. The impedance analysis, extended to higher-order harmonics, provides deeper insights into the dynamic behavior of dielectric materials, emphasizing the need to correlate impedance spectroscopy with dielectric spectroscopy for a thorough understanding of dipole relaxation and transport phenomena. Our approach provides a fully analytical framework that directly correlates microscopic charge dynamics with macroscopic dielectric responses, offering enhanced accuracy and predictive capability for systems dominated by displacement currents.

{"title":"Microscopic modeling of polarization dynamics in leaky dielectrics: Insights into ferroelectric-like behavior","authors":"Igor Ricardo Filgueira e Silva , Ovidiu Lipan , Fabian Hartmann , Sven Höfling , Victor Lopez-Richard","doi":"10.1016/j.mseb.2025.118089","DOIUrl":"10.1016/j.mseb.2025.118089","url":null,"abstract":"<div><div>Based on a microscopic model of nonequilibrium carrier generation in a leaky dielectric, we analytically derive hysteresis loops for the dielectric response of non-polar, non-ferroelectric materials. We demonstrate how complex dielectric responses can emerge solely from the influence of transport processes that depend on energy levels, voltage polarity, and asymmetries in charge transfer rates. By combining Electrochemical Impedance Spectroscopy and voltammetry, we address critical questions related to the microscopic mechanisms in poorly conductive systems dominated by displacement currents. The impedance analysis, extended to higher-order harmonics, provides deeper insights into the dynamic behavior of dielectric materials, emphasizing the need to correlate impedance spectroscopy with dielectric spectroscopy for a thorough understanding of dipole relaxation and transport phenomena. Our approach provides a fully analytical framework that directly correlates microscopic charge dynamics with macroscopic dielectric responses, offering enhanced accuracy and predictive capability for systems dominated by displacement currents.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118089"},"PeriodicalIF":3.9,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437837","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Retraction notice to “Fabrication of Nd2S3 based rGO nanohybrid via hydrothermal route and evaluation of capacitive features toward supercapacitor application” [Mater. Sci. Eng. B 301 (2024) 117207]

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B

Pub Date : 2025-02-18 DOI: 10.1016/j.mseb.2025.118119

Muhammad Abdullah , Meznah M. Alanazi , Shaimaa A.M. Abdelmohsen , Saeed D. Alahmari , Salma Aman , Asma Sadaf , Abdullah G. Al-Sehemi , A.M.A. Henaish , Zubair Ahmad , Hafiz Muhammad Tahir Farid

引用次数: 0

Binder free vanadium pentoxide by ammonium metavanadate for supercapacitor application

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B

Pub Date : 2025-02-18 DOI: 10.1016/j.mseb.2025.118118

P.G. Pawar , Bidhan Pandit , Abdullah M. Al-Enizi , S.H. Sutar , H.M. Pathan , S.H. Mujawar , S.J. Pawar

Vanadium pentoxide (V₂O₅) thin films were successfully synthesized as electrode materials for Supercapacitors using the spray pyrolysis technique. By Using ammonium metavanadate (NH₄VO₃) solution on glass and nickel foam (substrates) at three different substrate temperatures, 300-500 °C with an interval of 100 °C. V₂O₅ beats VO₂ and V₂O₃ in electrochemical performance due to its greater redox activity with multiple oxidation states, high theoretical capacitance, layered structure for fast ion diffusion, efficient pseudocapacitive behavior, and good electrochemical stability. The study investigated the influence of deposition parameters, including substrate temperatures, on the structural, morphological, and electrochemical properties of the resulting films. X-ray diffraction (XRD), confirms the formation of a polycrystalline orthorhombic V₂O₅ phase, while scanning electron microscopy (SEM) revealed a uniform, porous surface morphology ideal for charge storage. Galvanostatic charge–discharge (GCD) tests demonstrated a high specific capacitance of 491 Fg⁻¹ at 0.3 mA cm⁻² for a resultantsubstrate temperature of 400 °C. This result highlights the potential of V₂O₅ thin films prepared by spray pyrolysis as cost-effective and scalable electrode materials for high-performancesupercapacitors.

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引用次数: 0

Study on structural, morphological, and spectral properties of LiMPO4:Eu3+, B3+ (M = Zn, Sr) phosphors and latent fingerprint applications

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B

Pub Date : 2025-02-18 DOI: 10.1016/j.mseb.2025.118124

Mustafa İlhan , Lütfiye Feray Güleryüz , Mehmet İsmail Katı

Boron influences the melting point, crystallization, and both the optical and structural characteristics of ceramic materials. The effect of boron on the structural, morphological, and spectral properties for LiMPO₄:xEu³⁺, yB³⁺ (where M = Zn or Sr and x = 3 mol%, y = 0–100 mol%) phosphors was investigated using materials fabricated with the solid-state method. In XRD results, LiZnPO₄:Eu³⁺, B³⁺ series showed a single-phase structure up to 100 mol%, while LiSrPO₄:Eu³⁺, B³⁺ samples exhibited a low monoclinic phase at low concentrations. In SEM micrographs, the flux effect of boron caused growth in LiMPO₄:Eu³⁺, B³⁺ (M = Zn, Sr) grains sizes. As the B³⁺ concentration increases, PL emissions for both phosphor series increased up to 100 mol%, and the luminescence intensities increased over 8 times. Judd-Ofelt (JO) parameters (Ω₂, Ω₄) showed a slightly increasing trend for LiZnPO₄:Eu³⁺, B³⁺, whilst the change in Ω₂ and Ω₄ parameters was limited for LiSrPO₄:Eu³⁺, B³⁺ series. As the B³⁺ concentration increased, the observed lifetime (τ) of LiZnPO₄:Eu³⁺, B³⁺ with a bi-exponential decay decreased, whereas the τ lifetime for LiSrPO₄:Eu³⁺, B³⁺ with a mono exponential decay increased. The quantum efficiencies for LiSrPO₄:Eu³⁺, B³⁺ phosphors varied between 89.83 %–96.78 % and exhibited approximately twice the efficiency of LiZnPO₄:Eu³⁺, B³⁺. The usability of optimized LiMPO₄:xEu³⁺, yB³⁺ (where M = Zn, Sr and x = 3 mol%, y = 100 mol%) phosphors was investigated for latent fingerprint applications.

{"title":"Study on structural, morphological, and spectral properties of LiMPO4:Eu3+, B3+ (M = Zn, Sr) phosphors and latent fingerprint applications","authors":"Mustafa İlhan , Lütfiye Feray Güleryüz , Mehmet İsmail Katı","doi":"10.1016/j.mseb.2025.118124","DOIUrl":"10.1016/j.mseb.2025.118124","url":null,"abstract":"<div><div>Boron influences the melting point, crystallization, and both the optical and structural characteristics of ceramic materials. The effect of boron on the structural, morphological, and spectral properties for LiMPO4:xEu3+, yB3+ (where M = Zn or Sr and x = 3 mol%, y = 0–100 mol%) phosphors was investigated using materials fabricated with the solid-state method. In XRD results, LiZnPO4:Eu3+, B3+ series showed a single-phase structure up to 100 mol%, while LiSrPO4:Eu3+, B3+ samples exhibited a low monoclinic phase at low concentrations. In SEM micrographs, the flux effect of boron caused growth in LiMPO4:Eu3+, B3+ (M = Zn, Sr) grains sizes. As the B3+ concentration increases, PL emissions for both phosphor series increased up to 100 mol%, and the luminescence intensities increased over 8 times. Judd-Ofelt (JO) parameters (Ω2, Ω4) showed a slightly increasing trend for LiZnPO4:Eu3+, B3+, whilst the change in Ω2 and Ω4 parameters was limited for LiSrPO4:Eu3+, B3+ series. As the B3+ concentration increased, the observed lifetime (τ) of LiZnPO4:Eu3+, B3+ with a bi-exponential decay decreased, whereas the τ lifetime for LiSrPO4:Eu3+, B3+ with a mono exponential decay increased. The quantum efficiencies for LiSrPO4:Eu3+, B3+ phosphors varied between 89.83 %–96.78 % and exhibited approximately twice the efficiency of LiZnPO4:Eu3+, B3+. The usability of optimized LiMPO4:xEu3+, yB3+ (where M = Zn, Sr and x = 3 mol%, y = 100 mol%) phosphors was investigated for latent fingerprint applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118124"},"PeriodicalIF":3.9,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437838","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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