This study reports the synthesis and characterization of MnO2-reduced graphene oxide-based pure and Ni-doped cobalt oxide (GCMO and GNCMO) nanocomposites as efficient photocatalysts for environmental remediation. XRD confirms the spinel structure of Co3O4 and the tetragonal phase of MnO2, while rGO incorporation is validated by a broad peak at 26.5°. FESEM reveals spherical GCMO and nanorod-shaped GNCMO, influenced by Ni doping. GNCMO exhibits a lower bandgap (2.5 eV) than GCMO (2.7 eV), enabling superior visible-light absorption. BET analysis shows a higher surface area for GNCMO (229.09 m2/g) than GCMO (71.61 m2/g). PL studies indicate reduced recombination in GNCMO. I-V analysis confirms enhanced photosensitivity (47.89 %). GNCMO achieved superior photocatalytic degradation of MB (88.86 %), MO (93.95 %), and mixed dyes (∼82 %). Scavenger studies highlight the role of H2O2 and EDTA in enhancing degradation. This work offers a scalable strategy for sustainable nanocomposite-based remediation.
{"title":"Elucidating reactive species in mesoporous MnO2-reduced graphene oxide-based Ni-doped cobalt oxide for environmental remediation via scavenger studies","authors":"N.D. Raskar , D.V. Dake , V.A. Mane , R.B. Sonpir , K.M. Chavan , S.S. Munde , P.R. Kayande , B.N. Dole","doi":"10.1016/j.ssc.2026.116331","DOIUrl":"10.1016/j.ssc.2026.116331","url":null,"abstract":"<div><div>This study reports the synthesis and characterization of MnO<sub>2</sub>-reduced graphene oxide-based pure and Ni-doped cobalt oxide (GCMO and GNCMO) nanocomposites as efficient photocatalysts for environmental remediation. XRD confirms the spinel structure of Co<sub>3</sub>O<sub>4</sub> and the tetragonal phase of MnO<sub>2</sub>, while rGO incorporation is validated by a broad peak at 26.5°. FESEM reveals spherical GCMO and nanorod-shaped GNCMO, influenced by Ni doping. GNCMO exhibits a lower bandgap (2.5 eV) than GCMO (2.7 eV), enabling superior visible-light absorption. BET analysis shows a higher surface area for GNCMO (229.09 m<sup>2</sup>/g) than GCMO (71.61 m<sup>2</sup>/g). PL studies indicate reduced recombination in GNCMO. I-V analysis confirms enhanced photosensitivity (47.89 %). GNCMO achieved superior photocatalytic degradation of MB (88.86 %), MO (93.95 %), and mixed dyes (∼82 %). Scavenger studies highlight the role of H<sub>2</sub>O<sub>2</sub> and EDTA in enhancing degradation. This work offers a scalable strategy for sustainable nanocomposite-based remediation.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116331"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-01DOI: 10.1016/j.ssc.2026.116328
S. Bogtob, H. Kourbani, A. Samiri, A. Hasnaoui
This paper presents molecular dynamics (MD) simulations to explore the mechanical behavior and fracture mechanisms of Ni-based crystalline and metallic glass (MG) systems under uniaxial tensile loading. The simulations utilized an embedded atom method (EAM) potential to represent interatomic interactions. Defect-free and pre-cracked configurations were analyzed to evaluate how structural imperfections impact mechanical performance. The results indicate that Ni-crystalline structures possess greater stiffness and strength but are considerably more susceptible to crack initiation and propagation, exhibiting brittle fracture characteristics. Conversely, Ni-MGs show lower strength but improved damage tolerance and enhanced crack resistance, attributed to their amorphous structure and shear transformation zone (STZ)-mediated plasticity. The crack growth analysis revealed that Ni-MGs effectively delay crack progression and encourage crack tip blunting more than Ni-crystalline, a phenomenon evidenced by an increased crack tip curvature radius and uniform deformation. These results highlight the benefits of MGs in contexts demanding high fracture toughness and energy absorption.
{"title":"Molecular dynamics investigation of crack propagation and damage tolerance in crystalline and amorphous nickel","authors":"S. Bogtob, H. Kourbani, A. Samiri, A. Hasnaoui","doi":"10.1016/j.ssc.2026.116328","DOIUrl":"10.1016/j.ssc.2026.116328","url":null,"abstract":"<div><div>This paper presents molecular dynamics (MD) simulations to explore the mechanical behavior and fracture mechanisms of Ni-based crystalline and metallic glass (MG) systems under uniaxial tensile loading. The simulations utilized an embedded atom method (EAM) potential to represent interatomic interactions. Defect-free and pre-cracked configurations were analyzed to evaluate how structural imperfections impact mechanical performance. The results indicate that Ni-crystalline structures possess greater stiffness and strength but are considerably more susceptible to crack initiation and propagation, exhibiting brittle fracture characteristics. Conversely, Ni-MGs show lower strength but improved damage tolerance and enhanced crack resistance, attributed to their amorphous structure and shear transformation zone (STZ)-mediated plasticity. The crack growth analysis revealed that Ni-MGs effectively delay crack progression and encourage crack tip blunting more than Ni-crystalline, a phenomenon evidenced by an increased crack tip curvature radius and uniform deformation. These results highlight the benefits of MGs in contexts demanding high fracture toughness and energy absorption.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116328"},"PeriodicalIF":2.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-22DOI: 10.1016/j.ssc.2026.116326
Mahmoud Diab , David S. Wilkinson , Jidong Kang
Understanding the bendability of Advanced High Strength Steels (AHSS) is critical for both the forming of components and improving crash worthiness. This paper addresses this for a Dual-Phase DP-980 steel. In tandem with experimental work presented elsewhere we have developed a Finite Element Analysis (FEA) to model both the 90° VDA V-Bend test and a simple 3-point bend test. The FEA utilizes HyperWorks and LS-DYNA as the simulation platforms. Multi-scale, multi-phase modeling is implemented, incorporating real microstructures to capture the stress and strain evolution of DP-980 steel throughout the respective bending procedures. In this framework, macro-scale models inform and drive micro-scale models, ensuring realistic strain localization. We have demonstrated that the strain histories for these two modes of bending are quite different, although the final strains are similar. We have used the model to demonstrate how altering the microstructure through modification of the Martensite Volume Fraction and the Carbon content, affects strain localization within both Ferrite and Martensite. Furthermore, varying the relative strengths of each microstructural phase has a large effect on phase strain partitioning which is known to be important to damage tolerance. The results help to establish a robust methodology for multi-scale bending simulations of multi-phase materials.
{"title":"Microstructurally-based multi-phase finite element analysis of bending in Advanced High Strength Steels (AHSS)","authors":"Mahmoud Diab , David S. Wilkinson , Jidong Kang","doi":"10.1016/j.ssc.2026.116326","DOIUrl":"10.1016/j.ssc.2026.116326","url":null,"abstract":"<div><div>Understanding the bendability of Advanced High Strength Steels (AHSS) is critical for both the forming of components and improving crash worthiness. This paper addresses this for a Dual-Phase DP-980 steel. In tandem with experimental work presented elsewhere we have developed a Finite Element Analysis (FEA) to model both the 90° VDA V-Bend test and a simple 3-point bend test. The FEA utilizes HyperWorks and LS-DYNA as the simulation platforms. Multi-scale, multi-phase modeling is implemented, incorporating real microstructures to capture the stress and strain evolution of DP-980 steel throughout the respective bending procedures. In this framework, macro-scale models inform and drive micro-scale models, ensuring realistic strain localization. We have demonstrated that the strain histories for these two modes of bending are quite different, although the final strains are similar. We have used the model to demonstrate how altering the microstructure through modification of the Martensite Volume Fraction and the Carbon content, affects strain localization within both Ferrite and Martensite. Furthermore, varying the relative strengths of each microstructural phase has a large effect on phase strain partitioning which is known to be important to damage tolerance. The results help to establish a robust methodology for multi-scale bending simulations of multi-phase materials.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"410 ","pages":"Article 116326"},"PeriodicalIF":2.4,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-20DOI: 10.1016/j.ssc.2026.116329
Xiaodong Qiu, Shengqi Chi, Fengli Cao, Gang Liu
Two-dimensional silicon carbide (SiC) monolayers with biphenylene network exhibit unique physical properties due to their non-hexagonal ring structure. Using first-principles calculations and Boltzmann transport theory, we systematically investigate the lattice thermal conductivity and thermal transport properties of SiC biphenylene. The results demonstrate that this octagonal-hexagonal-square composite structure exhibits low thermal conductivity with the values of 69.3 W/(m·K) and 66.9 W/(m·K) at room temperature along the a- and b-axes, respectively. Detailed analysis reveals that the acoustic modes, especially the out-of-plane acoustic (ZA) mode dominate heat transport due to their long relaxation times, while the optical modes contribute much less despite the high group velocity. The Grüneisen parameter and phase space of scattering processes are also studied, and we find the absorption processes dominate the scattering processes. This work provides fundamental insights into designing high-performance thermoelectric materials through structural engineering of 2D systems.
{"title":"Lattice thermal conductivity of SiC in biphenylene network: a first-principles study","authors":"Xiaodong Qiu, Shengqi Chi, Fengli Cao, Gang Liu","doi":"10.1016/j.ssc.2026.116329","DOIUrl":"10.1016/j.ssc.2026.116329","url":null,"abstract":"<div><div>Two-dimensional silicon carbide (SiC) monolayers with biphenylene network exhibit unique physical properties due to their non-hexagonal ring structure. Using first-principles calculations and Boltzmann transport theory, we systematically investigate the lattice thermal conductivity and thermal transport properties of SiC biphenylene. The results demonstrate that this octagonal-hexagonal-square composite structure exhibits low thermal conductivity with the values of 69.3 W/(m·K) and 66.9 W/(m·K) at room temperature along the a- and b-axes, respectively. Detailed analysis reveals that the acoustic modes, especially the out-of-plane acoustic (ZA) mode dominate heat transport due to their long relaxation times, while the optical modes contribute much less despite the high group velocity. The Grüneisen parameter and phase space of scattering processes are also studied, and we find the absorption processes dominate the scattering processes. This work provides fundamental insights into designing high-performance thermoelectric materials through structural engineering of 2D systems.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116329"},"PeriodicalIF":2.4,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-20DOI: 10.1016/j.ssc.2026.116330
Shu-Qi Yang, Zhi Li
Salen-based metal organic frameworks (MOFs) have emerged as exceptional catalyst platforms due to their remarkable activity and tunable properties. The strategic incorporation of transition metal (TM) atoms enables precise modulation of both structural and catalytic characteristics. The structures and electronic properties of Salen-based ligands (TMC18H12N4O2) have been investigated using density functional theory (DFT). The results suggest that only Y-doped complexes (YC18H12N4O2) exhibit significant out-of-plane deviations from the C18H12N4O2 ligand framework. The TiC18H12N4O2, NiC18H12N4O2, ZrC18H12N4O2, and RuC18H12N4O2 demonstrate superior structural stability compared to their neighbors. The TiC18H12N4O2, CoC18H12N4O2, and ZrC18H12N4O2 exhibit greater embedding energies than their neighbors. The ScC18H12N4O2, CrC18H12N4O2, NiC18H12N4O2, ZnC18H12N4O2, YC18H12N4O2, MoC18H12N4O2, PdC18H12N4O2 and CdC18H12N4O2 display elevated kinetic stability compared to adjacent TMC18H12N4O2. The ScC18H12N4O2 and YC18H12N4O2 exhibit greater Mulliken charges than their neighbors. The TM-d orbitals (TM = Ti, V, Cr, Mn, Fe, Co, and Cu) of the TMC18H12N4O2 significantly affect the Fermi level. These findings provide molecular-level guidance for optimizing Salen-MOF catalysts in energy conversion and fine chemical synthesis applications.
{"title":"Structures and electronic properties of the transition metal-modified salen-based ligand for metal organic frameworks","authors":"Shu-Qi Yang, Zhi Li","doi":"10.1016/j.ssc.2026.116330","DOIUrl":"10.1016/j.ssc.2026.116330","url":null,"abstract":"<div><div>Salen-based metal organic frameworks (MOFs) have emerged as exceptional catalyst platforms due to their remarkable activity and tunable properties. The strategic incorporation of transition metal (TM) atoms enables precise modulation of both structural and catalytic characteristics. The structures and electronic properties of Salen-based ligands (TMC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>) have been investigated using density functional theory (DFT). The results suggest that only Y-doped complexes (YC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>) exhibit significant out-of-plane deviations from the C<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub> ligand framework. The TiC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, NiC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, ZrC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, and RuC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub> demonstrate superior structural stability compared to their neighbors. The TiC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, CoC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, and ZrC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub> exhibit greater embedding energies than their neighbors. The ScC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, CrC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, NiC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, ZnC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, YC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, MoC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>, PdC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub> and CdC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub> display elevated kinetic stability compared to adjacent TMC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub>. The ScC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub> and YC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub> exhibit greater Mulliken charges than their neighbors. The TM-<em>d</em> orbitals (TM = Ti, V, Cr, Mn, Fe, Co, and Cu) of the TMC<sub>18</sub>H<sub>12</sub>N<sub>4</sub>O<sub>2</sub> significantly affect the Fermi level. These findings provide molecular-level guidance for optimizing Salen-MOF catalysts in energy conversion and fine chemical synthesis applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116330"},"PeriodicalIF":2.4,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-19DOI: 10.1016/j.ssc.2026.116327
Jing Zhang , Yujin Zhang , Jie Sun , Jiancai Leng , Chun-Ming Wang
In practical applications, the tribological performance of materials is critically dependent on ambient atmospheric conditions, particularly humidity. Beyond humidity, this study investigates the influence of another prevalent atmospheric component—carbon dioxide (CO2)—on the interlayer friction of hexagonal boron nitride nanosheets (h-BNNS) using first-principles calculations. Our computational results demonstrate that the intercalation of CO2 molecules, except in configurations involving two molecules, consistently reduces interlayer friction. This frictional reduction is primarily attributed to an increased interlayer spacing and a consequent decrease in the effective contact area. However, when a minimal quantity of CO2 is introduced, a counteracting edge pinning effect emerges, leading to an increase in the interlayer slip resistance. These phenomena can be coherently explained by the mechanism of interfacial electron redistribution induced by CO2. The findings offer fundamental insights with potential implications for the design of tunable lubrication systems and novel strategies for CO2 capture and utilization.
{"title":"First-principles insights into CO2-Induced Ultralow friction in hexagonal boron nitride nanosheets","authors":"Jing Zhang , Yujin Zhang , Jie Sun , Jiancai Leng , Chun-Ming Wang","doi":"10.1016/j.ssc.2026.116327","DOIUrl":"10.1016/j.ssc.2026.116327","url":null,"abstract":"<div><div>In practical applications, the tribological performance of materials is critically dependent on ambient atmospheric conditions, particularly humidity. Beyond humidity, this study investigates the influence of another prevalent atmospheric component—carbon dioxide (CO<sub>2</sub>)—on the interlayer friction of hexagonal boron nitride nanosheets (h-BNNS) using first-principles calculations. Our computational results demonstrate that the intercalation of CO<sub>2</sub> molecules, except in configurations involving two molecules, consistently reduces interlayer friction. This frictional reduction is primarily attributed to an increased interlayer spacing and a consequent decrease in the effective contact area. However, when a minimal quantity of CO<sub>2</sub> is introduced, a counteracting edge pinning effect emerges, leading to an increase in the interlayer slip resistance. These phenomena can be coherently explained by the mechanism of interfacial electron redistribution induced by CO<sub>2</sub>. The findings offer fundamental insights with potential implications for the design of tunable lubrication systems and novel strategies for CO<sub>2</sub> capture and utilization.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116327"},"PeriodicalIF":2.4,"publicationDate":"2026-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034261","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-13DOI: 10.1016/j.ssc.2026.116325
A. Fakkahi , A. Naifar , H. Azmi , M. Jaouane , K. Hasanirokh , A. Sali , A. Ed-Dahmouny , K. El-Bakkari , R. Arraoui , M. Jaafar , Salim Elotmani , J. El-Hamouchi , A. Mazouz
In this work, we theoretically investigate the second harmonic generation (SHG) in multilayered spherical quantum dots (MSQDs) subjected to an external magnetic field, with a particular focus on the influence of geometrical parameters. The electronic states and wave functions are obtained by solving the time-independent Schrödinger equation within the effective mass approximation using the finite element method (FEM). This numerical framework allows us to accurately model the complex potential profile and quantum confinement of MSQDs with varying core, shell, and well dimensions. The SHG coefficient is computed using the compact density matrix formalism, taking into account the intersubband transitions between confined states. Our results reveal a strong dependence of the SHG response on both the structural configuration and the strength of the applied magnetic field. In particular, we observe that tuning the geometrical sizes significantly shifts the resonance peaks and alters the magnitude of the nonlinear optical response. These findings highlight the critical role of size modulation and magnetic field effects in optimizing SHG efficiency in quantum dot-based optoelectronic devices.
{"title":"Study of geometric influence on second harmonic generation in spherical quantum dot heterostructures under magnetic field","authors":"A. Fakkahi , A. Naifar , H. Azmi , M. Jaouane , K. Hasanirokh , A. Sali , A. Ed-Dahmouny , K. El-Bakkari , R. Arraoui , M. Jaafar , Salim Elotmani , J. El-Hamouchi , A. Mazouz","doi":"10.1016/j.ssc.2026.116325","DOIUrl":"10.1016/j.ssc.2026.116325","url":null,"abstract":"<div><div>In this work, we theoretically investigate the second harmonic generation (SHG) in multilayered spherical quantum dots (MSQDs) subjected to an external magnetic field, with a particular focus on the influence of geometrical parameters. The electronic states and wave functions are obtained by solving the time-independent Schrödinger equation within the effective mass approximation using the finite element method (FEM). This numerical framework allows us to accurately model the complex potential profile and quantum confinement of MSQDs with varying core, shell, and well dimensions. The SHG coefficient is computed using the compact density matrix formalism, taking into account the intersubband transitions between confined states. Our results reveal a strong dependence of the SHG response on both the structural configuration and the strength of the applied magnetic field. In particular, we observe that tuning the geometrical sizes significantly shifts the resonance peaks and alters the magnitude of the nonlinear optical response. These findings highlight the critical role of size modulation and magnetic field effects in optimizing SHG efficiency in quantum dot-based optoelectronic devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116325"},"PeriodicalIF":2.4,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145972811","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this work, pure ZnO, Al:ZnO, and Al–Ni:ZnO thin films were effectively fabricated on glass slides using a simple and cost-effective spray pyrolysis technique. UV–Vis, XRD, FTIR, SEM, and EDS techniques were systematically used to investigate the properties of the prepared layers. XRD analysis confirmed the formation of highly crystalline ZnO with a wurtzite structure preferentially oriented along the (002) plane, while SEM revealed aggregated morphologies across the film surface. EDS mapping verified the successful incorporation of Al and Ni dopants, and optical results indicated that Al doping slightly increased the band gap compared to pure ZnO, whereas secondary Ni doping reduced it. PL spectra showed a clear evolution of defect-related emissions, where Al doping suppressed the green band, whereas Ni incorporation restored. These defect states played a key role in enhancing charge separation and improving photocatalytic performance. The photocatalytic activity of the films was evaluated versus organic dyes under sunlight irradiation. Pure ZnO exhibited a degradation efficiency of 65 % for MB within 120 min, which decreased to 45 % for Al:ZnO but significantly improved to ∼91 % for the dual (Al–Ni) doped sample, identified as optimal composition. The superior performance of the co-doped films is ascribed to the synergistic effects of Al and Ni in enhancing charge separation and suppressing recombination. In addition to their remarkable photocatalytic performance, the obtained ZnO layers exhibited favorable optical and structural properties, suggesting their potential for optoelectronic applications. Despite the extensive development of various photocatalytic materials, ZnO remains a low-cost and effective semiconductor whose usefulness continues to be validated till now.
{"title":"Impact of dual (Al, Ni) doping on the photocatalytic behavior of ZnO semiconductor thin films","authors":"Safa Besra , Sabrina Iaiche , Karima Belakroum , Sadia Bergoug","doi":"10.1016/j.ssc.2026.116321","DOIUrl":"10.1016/j.ssc.2026.116321","url":null,"abstract":"<div><div>In this work, pure ZnO, Al:ZnO, and Al–Ni:ZnO thin films were effectively fabricated on glass slides using a simple and cost-effective spray pyrolysis technique. UV–Vis, XRD, FTIR, SEM, and EDS techniques were systematically used to investigate the properties of the prepared layers. XRD analysis confirmed the formation of highly crystalline ZnO with a wurtzite structure preferentially oriented along the (002) plane, while SEM revealed aggregated morphologies across the film surface. EDS mapping verified the successful incorporation of Al and Ni dopants, and optical results indicated that Al doping slightly increased the band gap compared to pure ZnO, whereas secondary Ni doping reduced it. PL spectra showed a clear evolution of defect-related emissions, where Al doping suppressed the green band, whereas Ni incorporation restored. These defect states played a key role in enhancing charge separation and improving photocatalytic performance. The photocatalytic activity of the films was evaluated versus organic dyes under sunlight irradiation. Pure ZnO exhibited a degradation efficiency of 65 % for MB within 120 min, which decreased to 45 % for Al:ZnO but significantly improved to ∼91 % for the dual (Al–Ni) doped sample, identified as optimal composition. The superior performance of the co-doped films is ascribed to the synergistic effects of Al and Ni in enhancing charge separation and suppressing recombination. In addition to their remarkable photocatalytic performance, the obtained ZnO layers exhibited favorable optical and structural properties, suggesting their potential for optoelectronic applications. Despite the extensive development of various photocatalytic materials, ZnO remains a low-cost and effective semiconductor whose usefulness continues to be validated till now.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116321"},"PeriodicalIF":2.4,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145972810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Neodymium ions' impacts on the thermal, structural, magnetic, optical, electrical, stability, and ferroelectric properties of zinc ferrite nanoparticles made with aloevera juice as fuel are demonstrated in the current study. The produced nanomaterial is thermally stable up to 500 °C. Primarily single-phase cubic spinel structure (space group Fd m) is shown by the XRD patterns, while at higher dopant concentrations, a secondary phase of NdFeO3 found. The crystallite size was calculated using the Williamson-Hall plot, which shows that the size decreases from 85.69 to 33.44 nm with the addition of Nd3+ ions. A scanning electron microscope analysis of grain size found to be decline. When Nd-ion is substituted, the band gap is found to increase from 1.80 eV to 2.06 eV for the indirect bandgap and from 2.26 eV to 2.96 eV for the direct bandgap. The material's stability in biomedical applications was evaluated using zeta measurements, which revealed that stability rose with substitution. The addition of a Nd ion increased the saturation magnetization from 1.51 emu/g to 22.13 emu/g and the coercivity from 651 Oe to 267.43 Oe. Drastic decrement in Curie temperature from 419 °C to 329 °C with substitution of Nd-ion. The produced materials exhibit multifunctional properties as a result of the ferroelectric study's support for the alteration of structural parameters brought about by Nd-ion replacement. The higher the concentration of Nd, the lower the absorbance observed, suggesting a dose-dependent antioxidant effect. Thus, Nd3+ substituted zinc ferrite's enhanced optoelectronic, magnetic, and ferroelectric characteristics underscore the new opportunities for this technologically relevant material production using aloe vera as fuel.
{"title":"Enhanced antioxidant and photocatalytic performance, Curie temperature, magneto-ferroelectric, opto-electronic of Nd-doped zinc ferrite nanomaterials synthesized via aloe vera-mediated green route for multifunctional applications","authors":"Nishu Nilam , Rakesh Kumar Singh , Anuradha Muskan , Rekha Kumari , Prince Kumar , Nishant Kumar , Shikha Bharti","doi":"10.1016/j.ssc.2026.116315","DOIUrl":"10.1016/j.ssc.2026.116315","url":null,"abstract":"<div><div>Neodymium ions' impacts on the thermal, structural, magnetic, optical, electrical, stability, and ferroelectric properties of zinc ferrite nanoparticles made with aloevera juice as fuel are demonstrated in the current study. The produced nanomaterial is thermally stable up to 500 °C. Primarily single-phase cubic spinel structure (space group Fd <span><math><mrow><mover><mn>3</mn><mo>‾</mo></mover></mrow></math></span> m) is shown by the XRD patterns, while at higher dopant concentrations, a secondary phase of NdFeO<sub>3</sub> found. The crystallite size was calculated using the Williamson-Hall plot, which shows that the size decreases from 85.69 to 33.44 nm with the addition of Nd<sup>3+</sup> ions. A scanning electron microscope analysis of grain size found to be decline. When Nd-ion is substituted, the band gap is found to increase from 1.80 eV to 2.06 eV for the indirect bandgap and from 2.26 eV to 2.96 eV for the direct bandgap. The material's stability in biomedical applications was evaluated using zeta measurements, which revealed that stability rose with substitution. The addition of a Nd ion increased the saturation magnetization from 1.51 emu/g to 22.13 emu/g and the coercivity from 651 Oe to 267.43 Oe. Drastic decrement in Curie temperature from 419 °C to 329 °C with substitution of Nd-ion. The produced materials exhibit multifunctional properties as a result of the ferroelectric study's support for the alteration of structural parameters brought about by Nd-ion replacement. The higher the concentration of Nd, the lower the absorbance observed, suggesting a dose-dependent antioxidant effect. Thus, Nd<sup>3+</sup> substituted zinc ferrite's enhanced optoelectronic, magnetic, and ferroelectric characteristics underscore the new opportunities for this technologically relevant material production using aloe vera as fuel.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116315"},"PeriodicalIF":2.4,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034778","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-10DOI: 10.1016/j.ssc.2026.116324
A. Dydniański , M. Raczyński , A. Łopion , T. Kazimierczuk , J. Kasprzak , K.E. Połczyńska , W. Pacuski , P. Kossacki
In this work we look into how the contact material influences the local charge properties of a p-type CdTe-based quantum well. We study five metals deposited as 10 nm layers on the sample surface: Au, Ag, Cr, Ni and Ti. We use magneto-spectroscopy to discriminate their charge states through monitoring the Zeeman shifts at singlet-triplet transitions. Most tested metals retain the original p-type of the quantum well, while gold and nickel coverage flips the local doping to n-type. This is attributed to a robust bonding of these two metals to the semiconductor, efficiently passivating its surface and thus improving electron diffusion from the metal to the quantum well.
{"title":"Hole to electron crossover in a (Cd,Mn)Te quantum well through surface metallization","authors":"A. Dydniański , M. Raczyński , A. Łopion , T. Kazimierczuk , J. Kasprzak , K.E. Połczyńska , W. Pacuski , P. Kossacki","doi":"10.1016/j.ssc.2026.116324","DOIUrl":"10.1016/j.ssc.2026.116324","url":null,"abstract":"<div><div>In this work we look into how the contact material influences the local charge properties of a p-type CdTe-based quantum well. We study five metals deposited as 10 nm layers on the sample surface: Au, Ag, Cr, Ni and Ti. We use magneto-spectroscopy to discriminate their charge states through monitoring the Zeeman shifts at singlet-triplet transitions. Most tested metals retain the original p-type of the quantum well, while gold and nickel coverage flips the local doping to n-type. This is attributed to a robust bonding of these two metals to the semiconductor, efficiently passivating its surface and thus improving electron diffusion from the metal to the quantum well.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"409 ","pages":"Article 116324"},"PeriodicalIF":2.4,"publicationDate":"2026-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145972812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号