Journal of Physics and Chemistry of Solids最新文献

{"title":"Synergistic interface engineering of tungsten disulfide (WS2) with iron-cobalt-tellurium-zirconium (FeCoTeZr) for supercapattery devices","authors":"Muhammad Zahir Iqbal ,&nbsp;Hussain Tariq ,&nbsp;Ayesha Zakir ,&nbsp;Asma Khizar ,&nbsp;Abhinav Kumar ,&nbsp;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}

{"title":"Light-driven enhancement of CO2 hydrogenation via nickel loading and oxygen vacancy formed on indium oxide","authors":"Xinyu Jia,&nbsp;Weihong Jiao,&nbsp;Jia Jia,&nbsp;Jie Ling,&nbsp;Zhiwei Shi,&nbsp;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 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/In₂O_3-x catalyst exhibited a CO₂ conversion of ∼32 % with a CO production rate of 14.4 mmol g_cat⁻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 In₂O_3-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–In₂O_3-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/In₂O_3-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 In₂O_3-x plays a key role in enhancing the photothermal catalytic CO₂ 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}

{"title":"Phononic, photonic and excitonic properties of ∼5 nm diameter aligned CdSe nanowires","authors":"Vladimir V. Poborchii ,&nbsp;Alexander A. Shklyaev ,&nbsp;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_1/2→1Π_e 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.</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}

{"title":"Cobalt doped MoS2: A photoactivated nanomaterial for removal of methylene blue and phenol","authors":"Tahir Iqbal ,&nbsp;Abdul Basit ,&nbsp;Abdallah M. Elgorban ,&nbsp;Hind A. AL-Shwaiman ,&nbsp;Muhammad Farooq ,&nbsp;Muhammad Yousaf ,&nbsp;Sumera Afsheen ,&nbsp;Ayesha Mushtaq ,&nbsp;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 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.</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}

{"title":"Enhancement of sodium ion conductivity in phosphate-based glass-ceramics by chemical substitution approach","authors":"I. Chaiboub ,&nbsp;H. Bih ,&nbsp;H. Zaitouni ,&nbsp;A. Lahmar ,&nbsp;K. Hoummada ,&nbsp;M. Naji ,&nbsp;B. Manoun ,&nbsp;A. El Bouari ,&nbsp;P. Lazor ,&nbsp;M.P.F. Graça ,&nbsp;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 Na₂O–Al₂O₃–TiO₂–P₂O₅ system. The glasses and glass-ceramics corresponding to the formula Na_2+xAl_1-xZn_xTi(PO₄)₃ (x = 0, 0.2, 0.4, 0.6, 0.8, 1), labeled as (NAZTP-G_x) and (NAZTP-GC_x) respectively, were characterized using different techniques. Differential Scanning Calorimetry (DSC) measurements were carried out to identify the characteristic temperatures, the glass transition (T_g) and the crystallization temperature (T_c). X-ray Diffraction (XRD) analysis of the glass-ceramics confirmed the formation of a solid solution Na_2+xAl_1-xZn_xTi(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-GC_0.2. Electrical characterization using electrochemical impedance spectroscopy (EIS) demonstrated that the NAZTP-GC_0.2 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-GC_0.2 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.</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}

{"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 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.</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}

{"title":"Li-ion diffusional insights and temperature dependent electrical & dielectric properties of LiNi1/3Mn1/3Co1/3PO4 electrodes","authors":"Mariappan Ganeshbabu ,&nbsp;Leonid Vasylechko ,&nbsp;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_1/3Mn_1/3Co_1/3PO₄, 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 LiNi_1/3Mn_1/3Co_1/3PO₄ 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 LiNi_1/3Mn_1/3Co_1/3PO₄ 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 LiNi_1/3Mn_1/3Co_1/3PO₄ 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}

{"title":"Effects of ferrous ion doping on the structural, optical, and electronic properties of tin tungstate materials","authors":"Tejas ,&nbsp;Hari Mohan Rai ,&nbsp;Sudha D. Kamath ,&nbsp;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 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.</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}

{"title":"Corrigendum to “The optimization of Palladium–Silver/Zirconia alloy catalyst structure for methane combustion” [J. Phys. Chem. Solid. 193 (2024) 112153]","authors":"Mengmeng Chu ,&nbsp;Ru Wang ,&nbsp;Seungyong Han ,&nbsp;Muhammad Quddamah Khokhar ,&nbsp;Rafi Ur Rahman ,&nbsp;Vinh-Ai Dao ,&nbsp;Duy Phong Pham ,&nbsp;Lefu Yang ,&nbsp;Junsin Yi","doi":"10.1016/j.jpcs.2024.112406","DOIUrl":"10.1016/j.jpcs.2024.112406","url":null,"abstract":"","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"196 ","pages":"Article 112406"},"PeriodicalIF":4.3,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142654905","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}

{"title":"Facile synthesis of carbon particles composed of N-doped carbon nanotube and their application in lithium-ion batteries","authors":"Feng Zhang ,&nbsp;Na Li ,&nbsp;Ying Yang ,&nbsp;Xiuguo Bi ,&nbsp;Yu Song ,&nbsp;Xiuying Wang ,&nbsp;Jihong Liu ,&nbsp;Haixia Li","doi":"10.1016/j.jpcs.2024.112413","DOIUrl":"10.1016/j.jpcs.2024.112413","url":null,"abstract":"<div><div>The synthesis of N-doped carbon materials plays an important role in improving electrochemical performance for lithium-ion batteries. The synthesis of N-doped carbon materials with special morphology and structure remains a challenge, because it is difficult to achieve both goals simultaneously. Carbon particles composed of N-doped carbon nanotubes have been successfully prepared via a simple method using Ni²⁺ salt, melamine-formaldehyde resin microspheres and ethanolamine as the raw materials. The as-synthesized carbon particles possess a stable reversible capacity of 445.5 mAh g⁻¹ at 1 C after 100 cycles. Even at 10 C and 20 C, the reversible capacities could also reach 200.1 and 109.8 mAh g⁻¹. The excellent electrochemical performance of the carbon particles can be attributed to both unique structure and N-doping. The high surface area and long carbon nanotube can provide more active area and facilitate the electron transport. Moreover, N-doping can increase the electrical conductivity and create the defects for carbon materials, which are favorable for Li⁺ adsorption.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"197 ","pages":"Article 112413"},"PeriodicalIF":4.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553484","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}