Pub Date : 2024-11-02DOI: 10.1016/j.jpcs.2024.112429
Shiqi Chen, Liu Yang, Jun Shen
This study evaluated electron shielding capabilities of various materials using Geant4 Monte Carlo software. By analyzing materials with different atomic numbers, we designed and tested composite films and coatings for radiation protection. Under 1.2 MeV electron irradiation, these materials reduced the dose deposited in electronic components by over 70 %. The fabricated composite films (W–Al) reduced the actual total dose by 100 % with a 30.67 % mass increase, closely matching the simulation result of 75.36 %. The composite coatings (W–Al) reduced the dose by 89.2 % with a 33 % mass increase, matching the simulation result of 70 %. Cascade collision simulations revealed that higher PKA energies lead to longer times to reach the thermal peak, more peak defects, and more stable defect pairs. This is due to the displacement threshold energy of the atoms in aluminum and tungsten. These results demonstrate the effectiveness of our composite films and coatings in enhancing electron shielding performance and validate our design methods.
{"title":"Radiation protection of W–Al composite films/coatings for aviation using genetic algorithms","authors":"Shiqi Chen, Liu Yang, Jun Shen","doi":"10.1016/j.jpcs.2024.112429","DOIUrl":"10.1016/j.jpcs.2024.112429","url":null,"abstract":"<div><div>This study evaluated electron shielding capabilities of various materials using Geant4 Monte Carlo software. By analyzing materials with different atomic numbers, we designed and tested composite films and coatings for radiation protection. Under 1.2 MeV electron irradiation, these materials reduced the dose deposited in electronic components by over 70 %. The fabricated composite films (W–Al) reduced the actual total dose by 100 % with a 30.67 % mass increase, closely matching the simulation result of 75.36 %. The composite coatings (W–Al) reduced the dose by 89.2 % with a 33 % mass increase, matching the simulation result of 70 %. Cascade collision simulations revealed that higher PKA energies lead to longer times to reach the thermal peak, more peak defects, and more stable defect pairs. This is due to the displacement threshold energy of the atoms in aluminum and tungsten. These results demonstrate the effectiveness of our composite films and coatings in enhancing electron shielding performance and validate our design methods.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112429"},"PeriodicalIF":4.3,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586152","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}
In this study, we investigated the impact of Platinum (Pt) nanocomposite incorporation on the electrochemical properties of Tungsten oxide (WO3) thin films. The binder free sputtered grown thin film electrode of Pt-WO3 nanocomposite shows modified structural and improved electrochemical characteristics. Pt incorporation improved electron transfer in WO3 matrix, and morphology (Nano-porous like) consequently enhance specific capacitance value and stability of electrode. The specific capacitance (Cs) of the Pt-WO3 nanocomposite electrode measured 559 Fg−1 at 0.02 A g−1, almost double the value obtained for the pure WO3 electrode (225 Fg−1), and demonstrate excellent cyclic stability over 5000 cycles. These findings suggest that Pt-WO₃ nanocomposites hold significant potential as electrode materials for advanced supercapacitor devices, offering both high energy storage capacity and excellent long-term stability.
{"title":"Investigation of electrochemical properties of Pt-WO3 nanocomposite thin films for supercapacitor applications","authors":"Reenu Rani , Ashwani Kumar , Meenakshi Sharma , Brij Mohan , Rinku Kumar , Ramesh Chandra , V.K. Malik","doi":"10.1016/j.jpcs.2024.112428","DOIUrl":"10.1016/j.jpcs.2024.112428","url":null,"abstract":"<div><div>In this study, we investigated the impact of Platinum (Pt) nanocomposite incorporation on the electrochemical properties of Tungsten oxide (WO<sub>3</sub>) thin films. The binder free sputtered grown thin film electrode of Pt-WO<sub>3</sub> nanocomposite shows modified structural and improved electrochemical characteristics. Pt incorporation improved electron transfer in WO<sub>3</sub> matrix, and morphology (Nano-porous like) consequently enhance specific capacitance value and stability of electrode. The specific capacitance (C<sub>s</sub>) of the Pt-WO<sub>3</sub> nanocomposite electrode measured 559 Fg<sup>−1</sup> at 0.02 A g<sup>−1</sup>, almost double the value obtained for the pure WO<sub>3</sub> electrode (225 Fg<sup>−1</sup>), and demonstrate excellent cyclic stability over 5000 cycles. These findings suggest that Pt-WO₃ nanocomposites hold significant potential as electrode materials for advanced supercapacitor devices, offering both high energy storage capacity and excellent long-term stability.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112428"},"PeriodicalIF":4.3,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653196","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}
Pub Date : 2024-11-01DOI: 10.1016/j.jpcs.2024.112425
Muhammad Zahir Iqbal , Hussain Tariq , Ayesha Zakir , Asma Khizar , Abhinav Kumar , Moonis Ali Khan
The increasing reliance on renewable energy sources has intensified the need for advanced energy storage technologies. Hybrid energy storage devices (HESDs) present a promising approach, combining both power and energy density. In this study, the energy storage performance of tungsten disulfide is enhanced by introducing an iron-cobalt-tellurium-zirconium (FeCoTeZr) alloy as an interfacial layer. This layer, deposited using a binder-free magnetron sputtering method, resolves the conductivity mismatch between the nickel foam (NF) substrate and , significantly improving device performance. The structural characteristics (SEM, XRD, Raman, and EDX) and electrochemical activities (CV, GCD, and EIS) of the prepared samples were acquired. The electrodes were subsequently used as a faradaic-dominated electrode in conjunction with activated carbon as electrochemical double-layer capacitor (EDLC) electrode in a real device. The high-efficiency WS₂/FeCoTeZr device achieved an energy density of 55 Wh/kg and a power density of 4250 W/kg, while retaining 97.9 % of its capacity after 3000 GCD cycles. Additionally, the device's capacitive and diffusive behaviors were analyzed using two modeling techniques. This novel strategy emphasizes the significant potential of interfacial-layer-enhanced HESDs as a cutting-edge solution for future energy storage systems.
{"title":"Synergistic interface engineering of tungsten disulfide (WS2) with iron-cobalt-tellurium-zirconium (FeCoTeZr) for supercapattery devices","authors":"Muhammad Zahir Iqbal , Hussain Tariq , Ayesha Zakir , Asma Khizar , Abhinav Kumar , Moonis Ali Khan","doi":"10.1016/j.jpcs.2024.112425","DOIUrl":"10.1016/j.jpcs.2024.112425","url":null,"abstract":"<div><div>The increasing reliance on renewable energy sources has intensified the need for advanced energy storage technologies. Hybrid energy storage devices (HESDs) present a promising approach, combining both power and energy density. In this study, the energy storage performance of tungsten disulfide <span><math><mrow><mo>(</mo><msub><mtext>WS</mtext><mn>2</mn></msub><mo>)</mo></mrow></math></span> is enhanced by introducing an iron-cobalt-tellurium-zirconium (FeCoTeZr) alloy as an interfacial layer. This layer, deposited using a binder-free magnetron sputtering method, resolves the conductivity mismatch between the nickel foam (NF) substrate and <span><math><mrow><msub><mtext>WS</mtext><mn>2</mn></msub></mrow></math></span>, significantly improving device performance. The structural characteristics (SEM, XRD, Raman, and EDX) and electrochemical activities (CV, GCD, and EIS) of the prepared samples were acquired. The electrodes were subsequently used as a faradaic-dominated electrode in conjunction with activated carbon as electrochemical double-layer capacitor (EDLC) electrode in a real device. The high-efficiency WS₂/FeCoTeZr device achieved an energy density of 55 Wh/kg and a power density of 4250 W/kg, while retaining 97.9 % of its capacity after 3000 GCD cycles. Additionally, the device's capacitive and diffusive behaviors were analyzed using two modeling techniques. This novel strategy emphasizes the significant potential of interfacial-layer-enhanced HESDs as a cutting-edge solution for future energy storage systems.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112425"},"PeriodicalIF":4.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142578375","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}
Photothermal catalysis is an efficient approach for CO2 conversion. Herein, the light-driven enhancement of CO2 hydrogenation via nickel loading and oxygen vacancy formed on indium oxide was investigated. The 5.17 wt% Ni/In2O3-x catalyst exhibited a CO2 conversion of ∼32 % with a CO production rate of 14.4 mmol gcat−1 h−1 under visible light irradiation at 300 °C. The photothermal catalytic activity was four times that of the thermocatalytic reaction and over twice that of In2O3-x under the same photothermal conditions. Structural characterization methods, including XRD, TEM, H2-TPR, CO2-TPD, and XPS, confirmed the importance of suppressing the over-reduction of the Ni–In2O3-x interface, to maintain both metallic Ni and oxygen vacancies for the photothermal CO2 conversion. UV–vis absorption, PL, XPS, and DFT calculation results verified the positive effect of the Ni loading and the formation of oxygen vacancies on enhancing visible light absorption and photoelectron-hole separation of Ni/In2O3-x, thus providing more photoelectrons for CO2 conversion to CO. Additionally, the increasing metallic Ni phase and the regeneration of oxygen vacancies induced by visible light irradiation were discovered. The synergistic effect of the Ni loading and oxygen vacancies on In2O3-x plays a key role in enhancing the photothermal catalytic CO2 hydrogenation.
光热催化是一种高效的二氧化碳转化方法。本文研究了通过镍负载和氧化铟上形成的氧空位来提高光驱动的二氧化碳加氢。在 300 °C 的可见光照射下，5.17 wt% Ni/In2O3-x 催化剂的 CO2 转化率为 ∼32 %，CO 生成率为 14.4 mmol gcat-1 h-1。在相同的光热条件下，光热催化活性是热催化反应的四倍，是 In2O3-x 的两倍多。包括 XRD、TEM、H2-TPR、CO2-TPD 和 XPS 在内的结构表征方法证实了抑制 Ni-In2O3-x 界面过度还原的重要性，以保持金属镍和氧空位，促进光热转化 CO2。紫外-可见吸收、聚光、XPS 和 DFT 计算结果验证了镍负载和氧空位的形成对增强镍/In2O3-x 的可见光吸收和光电子-空穴分离的积极作用，从而为 CO2 转化为 CO 提供更多的光电子。此外，还发现了金属镍相的增加和可见光照射诱导的氧空位再生。In2O3-x 上的镍负载和氧空位的协同效应在提高光热催化 CO2 加氢过程中发挥了关键作用。
{"title":"Light-driven enhancement of CO2 hydrogenation via nickel loading and oxygen vacancy formed on indium oxide","authors":"Xinyu Jia, Weihong Jiao, Jia Jia, Jie Ling, Zhiwei Shi, Anning Zhou","doi":"10.1016/j.jpcs.2024.112426","DOIUrl":"10.1016/j.jpcs.2024.112426","url":null,"abstract":"<div><div>Photothermal catalysis is an efficient approach for CO<sub>2</sub> conversion. Herein, the light-driven enhancement of CO<sub>2</sub> hydrogenation via nickel loading and oxygen vacancy formed on indium oxide was investigated. The 5.17 wt% Ni/In<sub>2</sub>O<sub>3-x</sub> catalyst exhibited a CO<sub>2</sub> conversion of ∼32 % with a CO production rate of 14.4 mmol g<sub>cat</sub><sup>−1</sup> h<sup>−1</sup> under visible light irradiation at 300 °C. The photothermal catalytic activity was four times that of the thermocatalytic reaction and over twice that of In<sub>2</sub>O<sub>3-x</sub> under the same photothermal conditions. Structural characterization methods, including XRD, TEM, H<sub>2</sub>-TPR, CO<sub>2</sub>-TPD, and XPS, confirmed the importance of suppressing the over-reduction of the Ni–In<sub>2</sub>O<sub>3-x</sub> interface, to maintain both metallic Ni and oxygen vacancies for the photothermal CO<sub>2</sub> conversion. UV–vis absorption, PL, XPS, and DFT calculation results verified the positive effect of the Ni loading and the formation of oxygen vacancies on enhancing visible light absorption and photoelectron-hole separation of Ni/In<sub>2</sub>O<sub>3-x</sub>, thus providing more photoelectrons for CO<sub>2</sub> conversion to CO. Additionally, the increasing metallic Ni phase and the regeneration of oxygen vacancies induced by visible light irradiation were discovered. The synergistic effect of the Ni loading and oxygen vacancies on In<sub>2</sub>O<sub>3-x</sub> plays a key role in enhancing the photothermal catalytic CO<sub>2</sub> hydrogenation.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112426"},"PeriodicalIF":4.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142592799","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}
Pub Date : 2024-10-31DOI: 10.1016/j.jpcs.2024.112424
Vladimir V. Poborchii , Alexander A. Shklyaev , Alexander V. Fokin
The first work on quantum-sized CdSe nanowires (NWs) was made with NWs encapsulated in chrysotile asbestos nanotubes (asb-CdSe-NWs) in 1997. However, asb-CdSe-NWs remain under-investigated compared to widely-known solution-based CdSe NWs. Here, we study ∼5 nm diameter asb-CdSe-NWs aligned along their c-axis. Polarized optical absorption, Raman and photoluminescence spectra (OAS, RS and PLS) of asb-CdSe-NWs are examined. All spectra display a high anisotropy mainly associated with the anisotropic nearly cylindrical shape of NWs and dielectric contrast between NWs and asbestos, NW-light interaction being strong for the E//c and weak for E⊥c light polarizations. Asb-CdSe-NW E//c OAS shows ∼1.93 eV and ∼2.38 eV bands of excitonic transitions between size-quantized electronic states. RS display strong longitudinal-optical-phonon band with a weak surface-mode shoulder resonantly enhanced at the excitation wavelength corresponding to the ∼2.38 eV absorption band related to the 1Π1/2→1Πe transition. Acoustic radial breathing mode is observed at ∼14 cm−1. Low-excitation PLS show polarized exciton emission band at ∼1.883 eV while high-excitation PLS display ∼1.836 eV biexciton emission band. The ∼47 meV biexciton binding energy is enhanced due to the low-permittivity environment. Our asb-CdSe-NW results make an important complementary contribution to the studies of CdSe NWs fabricated by a variety of different techniques.
1997 年，利用封装在温石棉纳米管中的碲化镉纳米线（asb-CdSe-NWs）首次实现了量子尺寸的碲化镉纳米线（NWs）。然而，与广为人知的溶液基 CdSe 纳米线相比，asb-CdSe-NWs 的研究仍然不足。在这里，我们研究了直径为 5 nm、沿其 c 轴排列的 asb-CdSe-NW。我们研究了asb-CdSe-NWs的偏振光吸收、拉曼和光致发光光谱（OAS、RS和PLS）。所有光谱都显示出高度各向异性，这主要与各向异性的近圆柱形 NWs 以及 NWs 和石棉之间的介电对比有关，NW 与光的相互作用在 E//c 偏振时很强，而在 E⊥c 偏振时很弱。Asb-CdSe-NW E//c OAS 显示出尺寸均衡电子态之间的激子跃迁带 ∼1.93 eV 和 ∼2.38 eV。在与 1Π1/2→1Πe 转变相关的 ∼2.38 eV 吸收带相对应的激发波长处，RS 显示出强纵向光-声子带和一个弱表面模式肩共振增强。在 ∼14 cm-1 处观察到声径向呼吸模式。低激发 PLS 在 ∼1.883 eV 处显示出偏振激子发射带，而高激发 PLS 则显示出 ∼1.836 eV 的双激子发射带。在低容限环境中，47 meV 的双激子结合能得到了提高。我们的asb-CdSe-NW结果为通过各种不同技术制备的硒化镉薄膜的研究做出了重要的补充贡献。
{"title":"Phononic, photonic and excitonic properties of ∼5 nm diameter aligned CdSe nanowires","authors":"Vladimir V. Poborchii , Alexander A. Shklyaev , Alexander V. Fokin","doi":"10.1016/j.jpcs.2024.112424","DOIUrl":"10.1016/j.jpcs.2024.112424","url":null,"abstract":"<div><div>The first work on quantum-sized CdSe nanowires (NWs) was made with NWs encapsulated in chrysotile asbestos nanotubes (asb-CdSe-NWs) in 1997. However, asb-CdSe-NWs remain under-investigated compared to widely-known solution-based CdSe NWs. Here, we study ∼5 nm diameter asb-CdSe-NWs aligned along their <strong>c</strong>-axis. Polarized optical absorption, Raman and photoluminescence spectra (OAS, RS and PLS) of asb-CdSe-NWs are examined. All spectra display a high anisotropy mainly associated with the anisotropic nearly cylindrical shape of NWs and dielectric contrast between NWs and asbestos, NW-light interaction being strong for the <strong><em>E</em></strong>//<strong>c</strong> and weak for <strong><em>E</em></strong>⊥<strong>c</strong> light polarizations. Asb-CdSe-NW <strong><em>E</em></strong>//<strong>c</strong> OAS shows ∼1.93 eV and ∼2.38 eV bands of excitonic transitions between size-quantized electronic states. RS display strong longitudinal-optical-phonon band with a weak surface-mode shoulder resonantly enhanced at the excitation wavelength corresponding to the ∼2.38 eV absorption band related to the 1Π<sub>1/2</sub>→1Π<sub>e</sub> transition. Acoustic radial breathing mode is observed at ∼14 cm<sup>−1</sup>. Low-excitation PLS show polarized exciton emission band at ∼1.883 eV while high-excitation PLS display ∼1.836 eV biexciton emission band. The ∼47 meV biexciton binding energy is enhanced due to the low-permittivity environment. Our asb-CdSe-NW results make an important complementary contribution to the studies of CdSe NWs fabricated by a variety of different techniques.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112424"},"PeriodicalIF":4.3,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571433","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}
Pub Date : 2024-10-31DOI: 10.1016/j.jpcs.2024.112422
Tahir Iqbal , Abdul Basit , Abdallah M. Elgorban , Hind A. AL-Shwaiman , Muhammad Farooq , Muhammad Yousaf , Sumera Afsheen , Ayesha Mushtaq , Rana Mustansar Munir
This research work reports the study about synthesis, characterizations and Photocatalytic applications of hydrothermally produced MoS2 and Cobalt doped MoS2 nanomaterials to overcome the environmental pollution caused by wastewater. MB dye and Phenol were used as model pollutants for evaluation of photocatalytic proficiency of MoS2 and Cobalt doped MoS2 nanostructures. The well matched ionic radius of Cobalt with host Mo atom increases their probability regarding alteration of nanomaterial’s optical, structural and catalytic properties. The Cobalt incorporation provided the synergistic effect attributed to efficient degradation up to 96 % and 80 % for MB dye and phenol respectively. Additionally, the prepared samples were characterized to elucidate their optical, electronic and structural properties. Scavenger analysis and reusability test had performed to check the role of active species and stability of optimized sample. This study predicts that the fabrication of Cobalt doped MoS2 can be used as potential and promising photocatalyst for industrial applications for wastewater treatment.
{"title":"Cobalt doped MoS2: A photoactivated nanomaterial for removal of methylene blue and phenol","authors":"Tahir Iqbal , Abdul Basit , Abdallah M. Elgorban , Hind A. AL-Shwaiman , Muhammad Farooq , Muhammad Yousaf , Sumera Afsheen , Ayesha Mushtaq , Rana Mustansar Munir","doi":"10.1016/j.jpcs.2024.112422","DOIUrl":"10.1016/j.jpcs.2024.112422","url":null,"abstract":"<div><div>This research work reports the study about synthesis, characterizations and Photocatalytic applications of hydrothermally produced MoS<sub>2</sub> and Cobalt doped MoS<sub>2</sub> nanomaterials to overcome the environmental pollution caused by wastewater. MB dye and Phenol were used as model pollutants for evaluation of photocatalytic proficiency of MoS<sub>2</sub> and Cobalt doped MoS<sub>2</sub> nanostructures. The well matched ionic radius of Cobalt with host Mo atom increases their probability regarding alteration of nanomaterial’s optical, structural and catalytic properties. The Cobalt incorporation provided the synergistic effect attributed to efficient degradation up to 96 % and 80 % for MB dye and phenol respectively. Additionally, the prepared samples were characterized to elucidate their optical, electronic and structural properties. Scavenger analysis and reusability test had performed to check the role of active species and stability of optimized sample. This study predicts that the fabrication of Cobalt doped MoS<sub>2</sub> can be used as potential and promising photocatalyst for industrial applications for wastewater treatment.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112422"},"PeriodicalIF":4.3,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142592798","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}
Pub Date : 2024-10-30DOI: 10.1016/j.jpcs.2024.112415
I. Chaiboub , H. Bih , H. Zaitouni , A. Lahmar , K. Hoummada , M. Naji , B. Manoun , A. El Bouari , P. Lazor , M.P.F. Graça , L. Bih
A NASICON-type sodium-ion conducting material was synthesized via the glass-ceramic route by investigating the zinc doped Na2O–Al2O3–TiO2–P2O5 system. The glasses and glass-ceramics corresponding to the formula Na2+xAl1-xZnxTi(PO4)3 (x = 0, 0.2, 0.4, 0.6, 0.8, 1), labeled as (NAZTP-Gx) and (NAZTP-GCx) respectively, were characterized using different techniques. Differential Scanning Calorimetry (DSC) measurements were carried out to identify the characteristic temperatures, the glass transition (Tg) and the crystallization temperature (Tc). X-ray Diffraction (XRD) analysis of the glass-ceramics confirmed the formation of a solid solution Na2+xAl1-xZnxTi(PO4)3 NASICON phase, Theoretical calculations employing the Perdew–Burke–Ernzerhoff generalized gradients approximation (PBE-GGA) model supported the potential substitution of aluminum by zinc in the octahedral site in the NASICON-phase. Further structural insights were obtained through Infrared (IR) and Raman spectroscopies. Scanning electron microscopy (SEM) analysis revealed a distinct flower-like shape of the formed crystallites in the glass-ceramic NAZTP-GC0.2. Electrical characterization using electrochemical impedance spectroscopy (EIS) demonstrated that the NAZTP-GC0.2 sample exhibited the highest ionic conductivity at 300 °C, reaching 4.1 × 10−5 (Ω−1 cm−1) with an activation energy of 0.25 eV. The DC polarization was performed on the NAZTP-GC0.2 glass-ceramic, revealing that the ions are the main charge carriers in the sample. This comprehensive analysis provides valuable insights into the partial zinc doping of NASICON glass-ceramics, offering potential for improved performance as solid electrolytes in various applications.
{"title":"Enhancement of sodium ion conductivity in phosphate-based glass-ceramics by chemical substitution approach","authors":"I. Chaiboub , H. Bih , H. Zaitouni , A. Lahmar , K. Hoummada , M. Naji , B. Manoun , A. El Bouari , P. Lazor , M.P.F. Graça , L. Bih","doi":"10.1016/j.jpcs.2024.112415","DOIUrl":"10.1016/j.jpcs.2024.112415","url":null,"abstract":"<div><div>A NASICON-type sodium-ion conducting material was synthesized via the glass-ceramic route by investigating the zinc doped Na<sub>2</sub>O–Al<sub>2</sub>O<sub>3</sub>–TiO<sub>2</sub>–P<sub>2</sub>O<sub>5</sub> system. The glasses and glass-ceramics corresponding to the formula Na<sub>2+x</sub>Al<sub>1-x</sub>Zn<sub>x</sub>Ti(PO<sub>4</sub>)<sub>3</sub> (x = 0, 0.2, 0.4, 0.6, 0.8, 1), labeled as (NAZTP-G<sub>x</sub>) and (NAZTP-GC<sub>x</sub>) respectively, were characterized using different techniques. Differential Scanning Calorimetry (DSC) measurements were carried out to identify the characteristic temperatures, the glass transition (T<sub>g</sub>) and the crystallization temperature (T<sub>c</sub>). X-ray Diffraction (XRD) analysis of the glass-ceramics confirmed the formation of a solid solution Na<sub>2+x</sub>Al<sub>1-x</sub>Zn<sub>x</sub>Ti(PO<sub>4</sub>)<sub>3</sub> NASICON phase, Theoretical calculations employing the Perdew–Burke–Ernzerhoff generalized gradients approximation (PBE-GGA) model supported the potential substitution of aluminum by zinc in the octahedral site in the NASICON-phase. Further structural insights were obtained through Infrared (IR) and Raman spectroscopies. Scanning electron microscopy (SEM) analysis revealed a distinct flower-like shape of the formed crystallites in the glass-ceramic NAZTP-GC<sub>0.2</sub>. Electrical characterization using electrochemical impedance spectroscopy (EIS) demonstrated that the NAZTP-GC<sub>0.2</sub> sample exhibited the highest ionic conductivity at 300 °C, reaching 4.1 × 10<sup>−5</sup> (Ω<sup>−1</sup> cm<sup>−1</sup>) with an activation energy of 0.25 eV. The DC polarization was performed on the NAZTP-GC<sub>0.2</sub> glass-ceramic, revealing that the ions are the main charge carriers in the sample. This comprehensive analysis provides valuable insights into the partial zinc doping of NASICON glass-ceramics, offering potential for improved performance as solid electrolytes in various applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112415"},"PeriodicalIF":4.3,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142577802","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}
Pub Date : 2024-10-29DOI: 10.1016/j.jpcs.2024.112421
Praloy Mondal
The current study examines the performance of graphene/Al doped ZnO (ZnO:Al) heterojunction photodetectors by variation in carrier concentration of ZnO layers. This is controlled by variation of O2 percentage in growth of ZnO:Al layers produced by reactive sputtering within a small range of O2 (5–8 %). Under light, the diodes fabricated with ZnO layers deposited at 5 % O2 exhibit almost linear I–V characteristics, resulting in high photoresponsivity of around 0.08 A/W at 0 V and about 80 A/W at +3 V. Graphene/ZnO:Al junctions that are fabricated using lightly doped ZnO:Al layers deposited at ≥ 6 % O2 exhibit comparatively poorer photoresponsivity (17 A/W at +3 V) when exposed to light. The responsivity of graphene/ZnO:Al increases from 17 to 95 A W−1 as carrier concentration of ZnO layers rises from ∼1018 cm−3 to ∼5 × 1020 cm−3. Carrier concentration induced Schottky barrier height change from 0.57 to 0.75 eV which enhances the responsivity of PDs from 17 to 95 A W−1. Reactive sputtering of ZnO:Al at moderate substrate temperatures allows for technological versatility and scalability, as well as simple control over its carrier concentration. Graphene/ZnO:Al Schottky type diodes appear promising for a variety of device applications beyond photodetector applications.
目前的研究通过改变氧化锌层的载流子浓度来检测石墨烯/掺铝氧化锌（ZnO:Al）异质结光电探测器的性能。在小范围内（5%-8%）通过反应溅射法生成的氧化锌：铝层的生长过程中，二氧化氮的比例会发生变化。在光照下，用 5%O2 沉积的氧化锌层制造的二极管表现出几乎线性的 I-V 特性，在 0 V 时具有约 0.08 A/W 的高光致发光率，在 +3 V 时具有约 80 A/W 的光致发光率；而用≥ 6%O2 的轻掺杂氧化锌：铝层制造的石墨烯/氧化锌：铝结在光照下表现出相对较差的光致发光率（+3 V 时为 17 A/W ）。当氧化锌层的载流子浓度从 ∼1018 cm-3 上升到 ∼5 × 1020 cm-3 时，石墨烯/氧化锌：Al 的响应率从 17 A W-1 上升到 95 A W-1。载流子浓度导致肖特基势垒高度从 0.57 eV 变为 0.75 eV，从而使 PD 的响应度从 17 A W-1 提高到 95 A W-1。在适中的基底温度下对氧化锌：铝进行反应溅射可实现技术的多功能性和可扩展性，以及对载流子浓度的简单控制。石墨烯/氧化锌：铝肖特基型二极管有望应用于光电探测器以外的各种器件。
{"title":"Enhanced photoresponse in graphene/Al doped ZnO nanorod junction","authors":"Praloy Mondal","doi":"10.1016/j.jpcs.2024.112421","DOIUrl":"10.1016/j.jpcs.2024.112421","url":null,"abstract":"<div><div>The current study examines the performance of graphene/Al doped ZnO (ZnO:Al) heterojunction photodetectors by variation in carrier concentration of ZnO layers. This is controlled by variation of O<sub>2</sub> percentage in growth of ZnO:Al layers produced by reactive sputtering within a small range of O<sub>2</sub> (5–8 %). Under light, the diodes fabricated with ZnO layers deposited at 5 % O<sub>2</sub> exhibit almost linear I–V characteristics, resulting in high photoresponsivity of around 0.08 A/W at 0 V and about 80 A/W at +3 V. Graphene/ZnO:Al junctions that are fabricated using lightly doped ZnO:Al layers deposited at ≥ 6 % O<sub>2</sub> exhibit comparatively poorer photoresponsivity (17 A/W at +3 V) when exposed to light. The responsivity of graphene/ZnO:Al increases from 17 to 95 A W<sup>−1</sup> as carrier concentration of ZnO layers rises from ∼10<sup>18</sup> cm<sup>−3</sup> to ∼5 × 10<sup>20</sup> cm<sup>−3</sup>. Carrier concentration induced Schottky barrier height change from 0.57 to 0.75 eV which enhances the responsivity of PDs from 17 to 95 A W<sup>−1</sup>. Reactive sputtering of ZnO:Al at moderate substrate temperatures allows for technological versatility and scalability, as well as simple control over its carrier concentration. Graphene/ZnO:Al Schottky type diodes appear promising for a variety of device applications beyond photodetector applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112421"},"PeriodicalIF":4.3,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653195","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}
Pub Date : 2024-10-29DOI: 10.1016/j.jpcs.2024.112420
Mariappan Ganeshbabu , Leonid Vasylechko , Ramakrishnan Kalai Selvan
Enhancing the electrical conductivity of the cathode is crucial for improving the overall performance of modern lithium-ion (Li-ion) batteries. In this study, a facile sol-gel thermolysis technique was employed to synthesize LiNi1/3Mn1/3Co1/3PO4, using ethylene-di-amine-tetra-acetic acid (EDTA) as the chelating agent. This method ensures a uniform distribution of metal ions, which is vital for achieving consistent and reliable material properties. This study employed solid-state impedance to investigate the electrical conductivity and Bond Valence Site Energy (BVSE) analysis to find the Li-ion trajectory within the proposed LiNi1/3Mn1/3Co1/3PO4 compound. Especially, the conductivity analysis revealed the small polaron hopping mechanism, a process in which charge carriers move through the crystal lattice by hopping from one localized site to another. The conductance spectra revealed that at 473 K, the compound exhibited a high DC conductivity of 6.88 x 10⁻⁶ S cm⁻1, which indicates that the material maintains a reasonable electrical conductivity at elevated temperatures for high-performance battery applications. The activation energy for conduction, determined from the Arrhenius plot, was found to be 0.14 eV, suggesting that the compound has a relatively low energy barrier for charge carrier movement. The half-cell of LiNi1/3Mn1/3Co1/3PO4 as cathode demonstrates an initial discharge capacity of 94 mAh g−1 at 0.1 C in the potential window from 2 to 4.8 V vs. Li/Li+. The bond valence site energy (BVSE) modeling provided critical insights into the Li-ion migration within the cathode material. The analysis revealed a one-dimensional (1D) Li⁺ migration barrier of 0.919 eV and a hopping distance of 1.86 Å. These findings infer the potential of LiNi1/3Mn1/3Co1/3PO4 as a promising candidate for Li-ion energy storage applications.
增强阴极的导电性对于提高现代锂离子（Li-ion）电池的整体性能至关重要。本研究采用简便的溶胶-凝胶热解技术合成了 LiNi1/3Mn1/3Co1/3PO4，并使用乙二胺四乙酸（EDTA）作为螯合剂。这种方法可确保金属离子的均匀分布，这对实现稳定可靠的材料特性至关重要。本研究采用固态阻抗来研究电导率，并通过键价位能（BVSE）分析来寻找锂离子在拟议的 LiNi1/3Mn1/3Co1/3PO4 复合物中的运动轨迹。特别是，电导率分析揭示了小极子跳跃机制，即电荷载流子通过从一个局部位点跳跃到另一个局部位点在晶格中移动的过程。电导率光谱显示，在 473 K 时，该化合物表现出 6.88 x 10-⁶ S cm-1 的高直流电导率，这表明该材料在高温下仍能保持合理的电导率，适用于高性能电池应用。根据阿伦尼乌斯图确定的传导活化能为 0.14 eV，表明该化合物的电荷载流子运动能量势垒相对较低。以 LiNi1/3Mn1/3Co1/3PO4 为阴极的半电池在 0.1 摄氏度、2 至 4.8 V 的电位窗口内对 Li/Li+ 的初始放电容量为 94 mAh g-1。键价位能（BVSE）建模为了解锂离子在阴极材料中的迁移提供了重要依据。分析结果表明，一维（1D）锂离子迁移势垒为 0.919 eV，跳跃距离为 1.86 Å。
{"title":"Li-ion diffusional insights and temperature dependent electrical & dielectric properties of LiNi1/3Mn1/3Co1/3PO4 electrodes","authors":"Mariappan Ganeshbabu , Leonid Vasylechko , Ramakrishnan Kalai Selvan","doi":"10.1016/j.jpcs.2024.112420","DOIUrl":"10.1016/j.jpcs.2024.112420","url":null,"abstract":"<div><div>Enhancing the electrical conductivity of the cathode is crucial for improving the overall performance of modern lithium-ion (Li-ion) batteries. In this study, a facile sol-gel thermolysis technique was employed to synthesize LiNi<sub>1/3</sub>Mn<sub>1/3</sub>Co<sub>1/3</sub>PO<sub>4</sub>, using ethylene-di-amine-tetra-acetic acid (EDTA) as the chelating agent. This method ensures a uniform distribution of metal ions, which is vital for achieving consistent and reliable material properties. This study employed solid-state impedance to investigate the electrical conductivity and Bond Valence Site Energy (BVSE) analysis to find the Li-ion trajectory within the proposed LiNi<sub>1/3</sub>Mn<sub>1/3</sub>Co<sub>1/3</sub>PO<sub>4</sub> compound. Especially, the conductivity analysis revealed the small polaron hopping mechanism, a process in which charge carriers move through the crystal lattice by hopping from one localized site to another. The conductance spectra revealed that at 473 K, the compound exhibited a high DC conductivity of 6.88 x 10⁻⁶ S cm⁻<sup>1</sup>, which indicates that the material maintains a reasonable electrical conductivity at elevated temperatures for high-performance battery applications. The activation energy for conduction, determined from the Arrhenius plot, was found to be 0.14 eV, suggesting that the compound has a relatively low energy barrier for charge carrier movement. The half-cell of LiNi<sub>1/3</sub>Mn<sub>1/3</sub>Co<sub>1/3</sub>PO<sub>4</sub> as cathode demonstrates an initial discharge capacity of 94 mAh g<sup>−1</sup> at 0.1 C in the potential window from 2 to 4.8 V vs. Li/Li<sup>+</sup>. The bond valence site energy (BVSE) modeling provided critical insights into the Li-ion migration within the cathode material. The analysis revealed a one-dimensional (1D) Li⁺ migration barrier of 0.919 eV and a hopping distance of 1.86 Å. These findings infer the potential of LiNi<sub>1/3</sub>Mn<sub>1/3</sub>Co<sub>1/3</sub>PO<sub>4</sub> as a promising candidate for Li-ion energy storage applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112420"},"PeriodicalIF":4.3,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586153","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}
Pub Date : 2024-10-29DOI: 10.1016/j.jpcs.2024.112418
Tejas , Hari Mohan Rai , Sudha D. Kamath , Vikash Mishra
Metal oxide materials have widespread applications in multiple application fields. On doping Fe3+ ions into α – SnWO4, structural, optical, and electronic properties varied noticeably leading the material into energy storage device applications. Pure and doped SnWO4 materials were prepared using the solid-state reaction method. Two different phases were observed on doping Fe ions into the host observed through X-ray diffraction. Different functional groups and their vibrations were found using FTIR spectroscopy which deliberately led to the confirmation of the prepared sample's structure. Raman spectroscopy identified different intra and inter-molecular vibrations. Optical energy bandgap was found to be 3.26 eV and 2.78 eV for Pure SnWO4 and SnWO4: Fe3+ ions respectively. The results obtained from Diffuse reflectance spectra were validated using Density Functional Theory calculations. The theoretical band gap values were found to be close to the experimental value. The optical spectra were also obtained through DFT calculations which were reliable to experimental findings and exciton binding energies were discussed.
{"title":"Effects of ferrous ion doping on the structural, optical, and electronic properties of tin tungstate materials","authors":"Tejas , Hari Mohan Rai , Sudha D. Kamath , Vikash Mishra","doi":"10.1016/j.jpcs.2024.112418","DOIUrl":"10.1016/j.jpcs.2024.112418","url":null,"abstract":"<div><div>Metal oxide materials have widespread applications in multiple application fields. On doping Fe<sup>3+</sup> ions into α – SnWO<sub>4</sub>, structural, optical, and electronic properties varied noticeably leading the material into energy storage device applications. Pure and doped SnWO<sub>4</sub> materials were prepared using the solid-state reaction method. Two different phases were observed on doping Fe ions into the host observed through X-ray diffraction. Different functional groups and their vibrations were found using FTIR spectroscopy which deliberately led to the confirmation of the prepared sample's structure. Raman spectroscopy identified different intra and inter-molecular vibrations. Optical energy bandgap was found to be 3.26 eV and 2.78 eV for Pure SnWO<sub>4</sub> and SnWO<sub>4</sub>: Fe<sup>3+</sup> ions respectively. The results obtained from Diffuse reflectance spectra were validated using Density Functional Theory calculations. The theoretical band gap values were found to be close to the experimental value. The optical spectra were also obtained through DFT calculations which were reliable to experimental findings and exciton binding energies were discussed.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112418"},"PeriodicalIF":4.3,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571431","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}
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