Pub Date : 2025-02-27DOI: 10.1016/j.physb.2025.417094
Ziqiang Shuai , Qiubo Hu , Tongxin Zhao , Bingbing Zheng , Jianuo Song , Yuchu Jiang , Guanbo Zhao , Guangcai Sun , Jia Liu , Xuetong Guo
Microcrystalline silicon (μc-Si) thin films are prepared through plasma enhanced chemical vapor deposition (PECVD) route under the assist of negative bias. A substrate temperature as low as 150 °C is applied during deposition. Various characterizations have been carried out for investigating the structural, electrical and optical properties of the as-deposited thin films. At H2 flow = 600 sccm, the largest μc-Si grain size of ∼300–600 nm is obtained. Furthermore, HIT solar cell devices have been prepared for verifying the effect of P-doped μc-Si thin films as the n layer.
{"title":"Properties of phosphorous-doped large-grained microcrystalline silicon thin film and the application on HIT solar cell","authors":"Ziqiang Shuai , Qiubo Hu , Tongxin Zhao , Bingbing Zheng , Jianuo Song , Yuchu Jiang , Guanbo Zhao , Guangcai Sun , Jia Liu , Xuetong Guo","doi":"10.1016/j.physb.2025.417094","DOIUrl":"10.1016/j.physb.2025.417094","url":null,"abstract":"<div><div>Microcrystalline silicon (μc-Si) thin films are prepared through plasma enhanced chemical vapor deposition (PECVD) route under the assist of negative bias. A substrate temperature as low as 150 °C is applied during deposition. Various characterizations have been carried out for investigating the structural, electrical and optical properties of the as-deposited thin films. At H<sub>2</sub> flow = 600 sccm, the largest μc-Si grain size of ∼300–600 nm is obtained. Furthermore, HIT solar cell devices have been prepared for verifying the effect of P-doped μc-Si thin films as the n layer.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417094"},"PeriodicalIF":2.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143549897","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-27DOI: 10.1016/j.physb.2025.417092
M.S. Al-Kotb, J.Z. Al-Waheidi, M.F. Kotkata
The study examined the effects of nanomorphologies on electrical conductivity, Raman modes, and photoluminescence in two ZnO films grown by oxidizing metallic Zn on glass substrates. The first film, ZnO-TH1, exhibited distinct nano-granules, while the second film, ZnO-TH2, displayed highly crystalline, chaotic nanostructures, indicating potential applications in optoelectronics. X-ray diffraction analysis revealed a hexagonal wurtzite structure with a space group of P63mc. The films' electrical conductivity was temperature-dependent, with thermally activated conduction and variable-range hopping as the primary conduction mechanisms. The near-edge absorption ratios and Urbach energies were associated with reduced structural disorder and defect energy levels. The orientation of low-dimensional ZnO nanostructures significantly influenced the position, shape, and width of Raman spectral bands. The synthesized ZnO demonstrates potential for solid-state LED applications due to its nanoscale morphologies.
{"title":"Structural and spectroscopic properties of ZnO thin films with chaotic surface nanostructures","authors":"M.S. Al-Kotb, J.Z. Al-Waheidi, M.F. Kotkata","doi":"10.1016/j.physb.2025.417092","DOIUrl":"10.1016/j.physb.2025.417092","url":null,"abstract":"<div><div>The study examined the effects of nanomorphologies on electrical conductivity, Raman modes, and photoluminescence in two ZnO films grown by oxidizing metallic Zn on glass substrates. The first film, ZnO-TH1, exhibited distinct nano-granules, while the second film, ZnO-TH2, displayed highly crystalline, chaotic nanostructures, indicating potential applications in optoelectronics. X-ray diffraction analysis revealed a hexagonal wurtzite structure with a space group of P6<sub>3</sub>mc. The films' electrical conductivity was temperature-dependent, with thermally activated conduction and variable-range hopping as the primary conduction mechanisms. The near-edge absorption ratios and Urbach energies were associated with reduced structural disorder and defect energy levels. The orientation of low-dimensional ZnO nanostructures significantly influenced the position, shape, and width of Raman spectral bands. The synthesized ZnO demonstrates potential for solid-state LED applications due to its nanoscale morphologies.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417092"},"PeriodicalIF":2.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}
This study delves the structural, morphological, and electrochemical properties of Co21.2O32and Cu2CoO3 compounds for supercapacitor applications. X-ray diffraction (XRD) confirms the pure crystalline structures of Co21.2O32 (cubic, Fd-3m) and Cu2CoO3 (orthorhombic, Pmmn), with crystallite sizes of 35.925 nm and 29.518 nm, respectively. Field emission scanning electron microscopy (FESEM) reveals granular morphologies with average grain sizes of 559.67 nm for Co21.2O32and 676.98 nm for Cu2CoO3. Energy-dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS) confirm the elemental compositions and valence states, including the presence of oxygen vacancies that enhance electron hopping. Electrochemical analysis, including cyclic voltammetry (CV), galvanostatic charge-discharge (GCD), and electrochemical impedance spectroscopy (EIS), shows that Cu2CoO3 exhibits superior performance, with higher specific capacitance (1186 F g−1 at 1 A/g) and excellent cycling stability (85 % retention after 10,000 cycles). The addition of copper improves conductivity, charge storage, and long-term durability, making Cu2CoO3 a promising candidate for energy storage applications.
{"title":"Structural insights and electrochemical behavior of Co21.2O32 and Cu2CoO3for high-performance supercapacitor applications","authors":"Vankudothu Nagendar , Anusha Purnakanti , Obula Reddy Ankinapalli , Durga Prasad Pabba , Vasudeva Reddy Minnam Reddy , M. Sreenath Reddy","doi":"10.1016/j.physb.2025.417080","DOIUrl":"10.1016/j.physb.2025.417080","url":null,"abstract":"<div><div>This study delves the structural, morphological, and electrochemical properties of Co<sub>21.2</sub>O<sub>32</sub>and Cu<sub>2</sub>CoO<sub>3</sub> compounds for supercapacitor applications. X-ray diffraction (XRD) confirms the pure crystalline structures of Co<sub>21.2</sub>O<sub>32</sub> (cubic, <strong><em>Fd-3m</em></strong>) and Cu<sub>2</sub>CoO<sub>3</sub> (orthorhombic, <strong><em>Pmmn</em></strong>), with crystallite sizes of 35.925 nm and 29.518 nm, respectively. Field emission scanning electron microscopy (FESEM) reveals granular morphologies with average grain sizes of 559.67 nm for Co<sub>21.2</sub>O<sub>32</sub>and 676.98 nm for Cu<sub>2</sub>CoO<sub>3</sub>. Energy-dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS) confirm the elemental compositions and valence states, including the presence of oxygen vacancies that enhance electron hopping. Electrochemical analysis, including cyclic voltammetry (CV), galvanostatic charge-discharge (GCD), and electrochemical impedance spectroscopy (EIS), shows that Cu<sub>2</sub>CoO<sub>3</sub> exhibits superior performance, with higher specific capacitance (1186 F g<sup>−1</sup> at 1 A/g) and excellent cycling stability (85 % retention after 10,000 cycles). The addition of copper improves conductivity, charge storage, and long-term durability, making Cu<sub>2</sub>CoO<sub>3</sub> a promising candidate for energy storage applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417080"},"PeriodicalIF":2.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143550477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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, Gallium (Ga) doped CdO:Ga/p-Si heterojunction thin films are fabricated by spray pyrolysis technique. Optical study of CdO and CdO:Ga films showed that the transparency ranges from 78 % to 73 % in the near infrared (NIR) region. Both the CdO and CdO:Ga films are direct band gap semiconductor and the band gap widens for different thickness of thin films. The photoluminescence (PL) study of CdO:Ga films grown on p-Si substrate showed two emission peaks for excitation wavelength 400 nm which are due to exciton emission and the band to band transition. The carrier concentrations for the CdO and CdO:Ga are found of the order of 1020 cm−3 are the indication of n-type semiconductors. The rectifying diode behavior of the CdO:Ga/p-Si heterojunctions is confirmed by the Current-Voltage (I-V) characteristics. The good diode characteristics are revealed through the ideality factor and the C–V response of the heterostructures.
{"title":"Synthesis of gallium (Ga) doped CdO/p-Si heterojunction and evaluation of junction parameters","authors":"Abdur Rouf, Md Saifur Rahman, M. Mojibur Rahman, M.S.I. Sarker, M.K.R. Khan","doi":"10.1016/j.physb.2025.417043","DOIUrl":"10.1016/j.physb.2025.417043","url":null,"abstract":"<div><div>In this work, Gallium (Ga) doped CdO:Ga/<em>p</em>-Si heterojunction thin films are fabricated by spray pyrolysis technique. Optical study of CdO and CdO:Ga films showed that the transparency ranges from 78 % to 73 % in the near infrared (NIR) region. Both the CdO and CdO:Ga films are direct band gap semiconductor and the band gap widens for different thickness of thin films. The photoluminescence (PL) study of CdO:Ga films grown on <em>p</em>-Si substrate showed two emission peaks for excitation wavelength 400 nm which are due to exciton emission and the band to band transition. The carrier concentrations for the CdO and CdO:Ga are found of the order of 10<sup>20</sup> cm<sup>−3</sup> are the indication of <em>n</em>-type semiconductors. The rectifying diode behavior of the CdO:Ga/p-Si heterojunctions is confirmed by the Current-Voltage (I-V) characteristics. The good diode characteristics are revealed through the ideality factor and the C–V response of the heterostructures.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417043"},"PeriodicalIF":2.8,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-25DOI: 10.1016/j.physb.2025.417075
Wan Li , Nur Miza Atikah Zulkafli , Mohamad Hafiz Mamat , Muhamad Kamil Yaakob
Predicting the energy band gap for FAPbI3 and MAPbI3 halide perovskites using density functional theory (DFT) methods often faces several difficulties and challenges. We investigated the effects of spin-orbit coupling (SOC) and dispersion corrections in DFT calculations on the crystal structure, electronic, and optical properties of MAPbI3 and FAPbI3 perovskites. Our findings indicate that incorporating SOC into LDA and GGA-PBE calculations improves the accuracy of energy band gap predictions for FAPbI3 and MAPbI3 structures. Furthermore, we demonstrate that adding dispersion corrections to GGA-PBE + SOC calculations indirectly affects structural relaxation, thereby enhancing the accuracy and consistency of MAPbI3 and FAPbI3 band gap values, which aligns with experimental data. Our new DFT approach, based on the cost-effective GGA-PBE + SOC + TS/MBD functional, accurately reproduces the electronic properties of MAPbI3 and FAPbI3, providing enhanced accuracy and consistency in calculating the energy band gap.
{"title":"Revisiting the effects of spin-orbit coupling and dispersion correction on the structural and electronic properties of APbI3 (A=MA, FA) halide perovskite","authors":"Wan Li , Nur Miza Atikah Zulkafli , Mohamad Hafiz Mamat , Muhamad Kamil Yaakob","doi":"10.1016/j.physb.2025.417075","DOIUrl":"10.1016/j.physb.2025.417075","url":null,"abstract":"<div><div>Predicting the energy band gap for FAPbI<sub>3</sub> and MAPbI<sub>3</sub> halide perovskites using density functional theory (DFT) methods often faces several difficulties and challenges. We investigated the effects of spin-orbit coupling (SOC) and dispersion corrections in DFT calculations on the crystal structure, electronic, and optical properties of MAPbI<sub>3</sub> and FAPbI<sub>3</sub> perovskites. Our findings indicate that incorporating SOC into LDA and GGA-PBE calculations improves the accuracy of energy band gap predictions for FAPbI<sub>3</sub> and MAPbI<sub>3</sub> structures. Furthermore, we demonstrate that adding dispersion corrections to GGA-PBE + SOC calculations indirectly affects structural relaxation, thereby enhancing the accuracy and consistency of MAPbI<sub>3</sub> and FAPbI<sub>3</sub> band gap values, which aligns with experimental data. Our new DFT approach, based on the cost-effective GGA-PBE + SOC + TS/MBD functional, accurately reproduces the electronic properties of MAPbI<sub>3</sub> and FAPbI<sub>3</sub>, providing enhanced accuracy and consistency in calculating the energy band gap.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"704 ","pages":"Article 417075"},"PeriodicalIF":2.8,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}
This study shows the effect of Cu alloying ZnO (CZO) films (x = 1–7 at.%) on their structural, electrical, and optical properties. ZnO:Cu was synthesized by the pulsed spray-pyrolysis technique using molecular solutions. CZO films were studied by XRD, SEM, EDX, Raman and optical spectroscopy, and Hall effect measurements. XRD analysis proves the formation of single-phase films with a hexagonal wurtzite structure, further confirmed by Raman spectroscopy. EDX analysis showed the successful incorporation of Cu in the unit cell of ZnO at the concentrations of x = (1–7) at.%. CZO film at x = 1 at.% possessed the best microstructure characteristics, i.e., L(100)= 22.4 nm; ε(100)= 5.9·10−3; ρεL(100) = 1.4·1016 lin∙m−2. It was found that the band gap, Eg = 3.32 eV, in the non-alloyed ZnO films is not significatively changed upon Cu alloying, residing in the range of (3.32–3.33) eV. The low resistivity (ρ = 7.14 Ω cm) and high Hall mobility (μ = 385.91 сm2/V⋅s) were observed for the CZO films at x = 1 at.%. Thus the obtained CZO films by using the pulsed spray-pyrolysis methodology could be of interest for application in solar cells as window and charge collection layers, as determined by their properties.
{"title":"Structural, optical, and electrical properties of copper-alloyed ZnO films deposited by the pulsed spray-pyrolysis with molecular solutions","authors":"Bohdan Boiko , Maksym Yermakov , Roman Pshenychnyi , Oleksii Klymov , Anatoliy Opanasyuk , Oleksandr Dobrozhan , Oleksii Diachenko , Vicente Muñoz-Sanjosé","doi":"10.1016/j.physb.2025.417086","DOIUrl":"10.1016/j.physb.2025.417086","url":null,"abstract":"<div><div>This study shows the effect of Cu alloying ZnO (CZO) films (<em>x</em> = 1–7 at.%) on their structural, electrical, and optical properties. ZnO:Cu was synthesized by the pulsed spray-pyrolysis technique using molecular solutions. CZO films were studied by XRD, SEM, EDX, Raman and optical spectroscopy, and Hall effect measurements. XRD analysis proves the formation of single-phase films with a hexagonal wurtzite structure, further confirmed by Raman spectroscopy. EDX analysis showed the successful incorporation of Cu in the unit cell of ZnO at the concentrations of <em>x</em> = (1–7) at.%. CZO film at <em>x</em> = 1 at.% possessed the best microstructure characteristics, <em>i.e.</em>, <em>L</em><sub>(100)</sub> <em>=</em> 22.4 nm; <em>ε</em><sub>(100)</sub> <em>=</em> 5.9·10<sup>−3</sup>; <em>ρ</em><sub><em>εL</em>(100)</sub> = 1.4·10<sup>16</sup> lin∙m<sup>−2</sup>. It was found that the band gap, <em>E</em><sub>g</sub> = 3.32 eV, in the non-alloyed ZnO films is not significatively changed upon Cu alloying, residing in the range of (3.32–3.33) eV. The low resistivity (<em>ρ</em> = 7.14 Ω cm) and high Hall mobility (<em>μ</em> = 385.91 сm<sup>2</sup>/V⋅s) were observed for the CZO films at <em>x</em> = 1 at.%. Thus the obtained CZO films by using the pulsed spray-pyrolysis methodology could be of interest for application in solar cells as window and charge collection layers, as determined by their properties.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417086"},"PeriodicalIF":2.8,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143519571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The magnetic, lattice dynamical, and elastic properties of the Laves phases (C14, C15, and C36) and the orthorhombic (Imma) phase of YFe2 were investigated under ambient and high pressures using first-principles calculations. Below 86 GPa, the C15 and Imma phases exhibit higher thermodynamic stability compared to the C14 and C36 phases. However, the C14 phase becomes the most stable structure when the pressure exceeds 86 GPa. At ambient pressure, all Fe atoms in the C15, Imma, and C14 phases exhibit magnetic moments of approximately 2 μB, while Y atoms possess negative magnetic moments of about −0.5 μB, resulting in ferrimagnetism in all four phases. Notably, in the C36 structure, the magnetic moments of Fe atoms at the 6h site are antiparallel to those at other sites, with three reversals observed under pressures from 0 to 8 GPa. Elastic and dynamical analyses indicate that the C36 phase becomes unstable near 10 GPa, while the C14 phase is elastically unstable near 5 GPa but dynamically stable and brittle. The system shows negligible shear and compression resistance near these pressures but exhibits ductility at other pressure ranges. These findings provide new insights into the pressure-dependent properties of YFe2, offering guidance for its potential applications under varying pressure conditions.
{"title":"Pressure-induced anomalous properties of Laves phase and orthorhombic phase of YFe2","authors":"Huang-yan Cheng, Xin-xin Zhang, Guo-liang Yu, Tai-min Cheng","doi":"10.1016/j.physb.2025.417088","DOIUrl":"10.1016/j.physb.2025.417088","url":null,"abstract":"<div><div>The magnetic, lattice dynamical, and elastic properties of the Laves phases (C14, C15, and C36) and the orthorhombic (<em>Imma</em>) phase of YFe<sub>2</sub> were investigated under ambient and high pressures using first-principles calculations. Below 86 GPa, the C15 and <em>Imma</em> phases exhibit higher thermodynamic stability compared to the C14 and C36 phases. However, the C14 phase becomes the most stable structure when the pressure exceeds 86 GPa. At ambient pressure, all Fe atoms in the C15, <em>Imma</em>, and C14 phases exhibit magnetic moments of approximately 2 <em>μ</em><sub>B</sub>, while Y atoms possess negative magnetic moments of about −0.5 <em>μ</em><sub>B</sub>, resulting in ferrimagnetism in all four phases. Notably, in the C36 structure, the magnetic moments of Fe atoms at the 6h site are antiparallel to those at other sites, with three reversals observed under pressures from 0 to 8 GPa. Elastic and dynamical analyses indicate that the C36 phase becomes unstable near 10 GPa, while the C14 phase is elastically unstable near 5 GPa but dynamically stable and brittle. The system shows negligible shear and compression resistance near these pressures but exhibits ductility at other pressure ranges. These findings provide new insights into the pressure-dependent properties of YFe<sub>2</sub>, offering guidance for its potential applications under varying pressure conditions.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417088"},"PeriodicalIF":2.8,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143526891","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-25DOI: 10.1016/j.physb.2025.417081
P. Rajkumar , V. Velmurugan , R. Kumutha , J. Jayaprakash , A. Raja , Misook Kang , Nouf H. Alotaibi
Developing nanocatalysts with high sensitivity for the electrochemical detection of p-nitrophenol remains a challenge due to the limited electrochemical reactivity of organic compounds. In this study, reduced graphene oxide-silver (rGO-Ag) and reduced graphene oxide-gold (rGO-Au) nanocomposites were synthesized via a hydrothermal approach. Cyclic voltammetry revealed that both nanocomposites exhibited superior electrochemical sensing capabilities for p-nitrophenol, showing significantly higher currents compared to bare rGO. Additionally, the Au-rGO nanocomposite demonstrated exceptional photocatalytic efficiency, achieving 92.59 % degradation of tetracycline markedly outperforming both bare rGO and Ag-rGO. Recycling and scavenging tests confirmed the stability of the Au-rGO catalyst and identified the major active radicals involved in the degradation process. These findings highlight the bifunctional nature of the developed nanocomposites, showcasing their potential for applications in electrochemical sensing and photocatalysis.
{"title":"Facile synthesis of rGO-Ag and rGO-Au nanocomposites and their applications in biosensors and enhanced photocatalytic properties","authors":"P. Rajkumar , V. Velmurugan , R. Kumutha , J. Jayaprakash , A. Raja , Misook Kang , Nouf H. Alotaibi","doi":"10.1016/j.physb.2025.417081","DOIUrl":"10.1016/j.physb.2025.417081","url":null,"abstract":"<div><div>Developing nanocatalysts with high sensitivity for the electrochemical detection of p-nitrophenol remains a challenge due to the limited electrochemical reactivity of organic compounds. In this study, reduced graphene oxide-silver (rGO-Ag) and reduced graphene oxide-gold (rGO-Au) nanocomposites were synthesized via a hydrothermal approach. Cyclic voltammetry revealed that both nanocomposites exhibited superior electrochemical sensing capabilities for p-nitrophenol, showing significantly higher currents compared to bare rGO. Additionally, the Au-rGO nanocomposite demonstrated exceptional photocatalytic efficiency, achieving 92.59 % degradation of tetracycline markedly outperforming both bare rGO and Ag-rGO. Recycling and scavenging tests confirmed the stability of the Au-rGO catalyst and identified the major active radicals involved in the degradation process. These findings highlight the bifunctional nature of the developed nanocomposites, showcasing their potential for applications in electrochemical sensing and photocatalysis.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417081"},"PeriodicalIF":2.8,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143519463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-25DOI: 10.1016/j.physb.2025.417084
Van-Thuc Nguyen , Vo Thi Thu Nhu , Xuan-Tien Vo , Hoang Van Huong
This study investigates the formation mechanisms and deformation behaviors of Cu-Al explosive welding joints using molecular dynamics (MD) simulation. The study evaluates the effects of impact speed, impact depth, impact angle, and ultrasonic vibration on the deformation behaviors and dislocation distributions of the Cu-Al explosive weld joint. During the tensile test process, the stress distribution can be classified into three zones: the low-stress zone of the Al plate, the high-stress zone of the weld joint, and the medium-stress zone of the Cu plate. Weld joint strength can be considerably increased by modifying the impact angle and applying vibration-assisted movement. It is noteworthy that strain, stress, dislocation density, crystalline structure, and UTS value are all increased by vibration during the explosive welding process due to the improvement of strain-hardening and diffusion mechanisms. The diffusion mechanism in explosive welding refers to the rapid diffusion of molten metals under high pressure.
{"title":"Atomistic simulation into Cu-Al explosive welding joint formation mechanisms and deformation characteristics","authors":"Van-Thuc Nguyen , Vo Thi Thu Nhu , Xuan-Tien Vo , Hoang Van Huong","doi":"10.1016/j.physb.2025.417084","DOIUrl":"10.1016/j.physb.2025.417084","url":null,"abstract":"<div><div>This study investigates the formation mechanisms and deformation behaviors of Cu-Al explosive welding joints using molecular dynamics (MD) simulation. The study evaluates the effects of impact speed, impact depth, impact angle, and ultrasonic vibration on the deformation behaviors and dislocation distributions of the Cu-Al explosive weld joint. During the tensile test process, the stress distribution can be classified into three zones: the low-stress zone of the Al plate, the high-stress zone of the weld joint, and the medium-stress zone of the Cu plate. Weld joint strength can be considerably increased by modifying the impact angle and applying vibration-assisted movement. It is noteworthy that strain, stress, dislocation density, crystalline structure, and UTS value are all increased by vibration during the explosive welding process due to the improvement of strain-hardening and diffusion mechanisms. The diffusion mechanism in explosive welding refers to the rapid diffusion of molten metals under high pressure.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417084"},"PeriodicalIF":2.8,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143519466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2025-02-25DOI: 10.1016/j.physb.2025.417076
Usman Iliyasu , Mohamad Syazwan Mohd Sanusi , Nor Ezzaty Ahmad , M.S. Al-Buriahi , Hammam Abdurabu Thabit , Abubakar A. Sifawa
The influence of Bi2O3 substitution for B2O3 on the structural, optical, thermal, and radiation shielding characteristics of (75-x)B2O3-20ZnO-5Pb3O4-xBi2O3 glass, where x = 5, 10, 15, 20 mol%, was synthesized via melt-quenching. Various material characterization techniques revealed amorphous properties, increased optical density with disordered structure, lowering glass thermal resistance as Bi2O3 concentrations increased in the glass structure. The linear and mass attenuation coefficient obtained experimentally, Geant4, and Phy-X/PSD showed a good agreement, increasing from 3.97 to 7.137 cm−1 and from 0.953 to 1.357 cm2/g at 0.15 MeV, when 5 and 20 mol% Bi2O3 was added. At glass thickness of 0.5 cm, the Radiation Protection Efficiency (RPE) of the samples containing 5 and 20 mol% Bi2O3 was 86.21 % and 97.15 %, at an energy of 0.15 MeV and increased to 99.99 % and 100 % for 2 cm. These results suggest the synthesized glasses are promising candidates for radiation shielding applications.
{"title":"Impact of Bi2O3 on the optical, structural, thermal, and nuclear radiation shielding properties of lead zinc borate glass","authors":"Usman Iliyasu , Mohamad Syazwan Mohd Sanusi , Nor Ezzaty Ahmad , M.S. Al-Buriahi , Hammam Abdurabu Thabit , Abubakar A. Sifawa","doi":"10.1016/j.physb.2025.417076","DOIUrl":"10.1016/j.physb.2025.417076","url":null,"abstract":"<div><div>The influence of Bi<sub>2</sub>O<sub>3</sub> substitution for B<sub>2</sub>O<sub>3</sub> on the structural, optical, thermal, and radiation shielding characteristics of (75-<em>x</em>)B<sub>2</sub>O<sub>3</sub>-20ZnO-5Pb<sub>3</sub>O<sub>4</sub>-<em>x</em>Bi<sub>2</sub>O<sub>3</sub> glass, where <em>x</em> = 5, 10, 15, 20 mol%, was synthesized via melt-quenching. Various material characterization techniques revealed amorphous properties, increased optical density with disordered structure, lowering glass thermal resistance as Bi<sub>2</sub>O<sub>3</sub> concentrations increased in the glass structure. The linear and mass attenuation coefficient obtained experimentally, Geant4, and Phy-X/PSD showed a good agreement, increasing from 3.97 to 7.137 cm<sup>−1</sup> and from 0.953 to 1.357 cm<sup>2</sup>/g at 0.15 MeV, when 5 and 20 mol% Bi<sub>2</sub>O<sub>3</sub> was added. At glass thickness of 0.5 cm, the Radiation Protection Efficiency (RPE) of the samples containing 5 and 20 mol% Bi<sub>2</sub>O<sub>3</sub> was 86.21 % and 97.15 %, at an energy of 0.15 MeV and increased to 99.99 % and 100 % for 2 cm. These results suggest the synthesized glasses are promising candidates for radiation shielding applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417076"},"PeriodicalIF":2.8,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143519570","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}
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