Journal of Physics and Chemistry of Solids最新文献

{"title":"Sonochemical synthesis of mesoporous ZnyCd1-yS quantum dots: Composition-dependent optical, electrical, dielectric, and hydrogen-generation characteristics","authors":"A.G. Abd-Elrahim ,&nbsp;Doo-Man Chun ,&nbsp;E.M.M. Ibrahim ,&nbsp;Faisal K. Algethami ,&nbsp;Mohamed Nady Goda ,&nbsp;Manar A. Ali","doi":"10.1016/j.jpcs.2024.112414","DOIUrl":"10.1016/j.jpcs.2024.112414","url":null,"abstract":"<div><div>Mesoporous Zn_yCd_1-yS quantum dots (QDs) with mixed cubic–hexagonal phases prepared by sonochemical technique at varying Zn content. Incorporating Zn ions in the CdS lattice reduced the crystalline size and enhanced the corresponding surface areas at increasing Zn contents. The increase of Zn content in Zn_yCd_1-yS QDs increased the bandgap from 2.52 eV to 3.83 eV and enhanced the corresponding Urbach energy from 72 meV to 279 meV. Zn_yCd_1-yS QDs exhibited small electrical activation energies ranging from 249 mV to 361 mV. The effect of Zn content on the catalytic activity of Zn_yCd_1-yS QDs toward hydrogen production through NaBH₄ hydrolysis was investigated at different temperatures. Ternary alloys ZnCdS QDs exhibited higher catalytic activity than pure ZnS and CdS QDs, with Zn_0·5Cd_0·5S QDs displaying the highest hydrogen generation rate of 96 mL∙min⁻¹ g⁻¹. The increase of reaction temperature from 30 °C to 60 °C enhanced the rate constant of hydrogen production from 0.071 to 0.36 min⁻¹. Based on the pseudo-first-order equation, the estimated apparent activation energy of Zn_0·5Cd_0·5S QDs was 45.3 kJ mol⁻¹. Overall, the obtained results underscored the potential of Zn_yCd_1-yS QDs as promising catalysts for hydrogen generation.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553485","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":"Influence of Mo dopant on the structural, vibrational, dielectric, and magnetic properties of combustion synthesized ZnFe2O4 nanostructures for optoelectronic and spintronic applications","authors":"Mohd Shkir ,&nbsp;Kamlesh V. Chandekar ,&nbsp;Njod Al Sdran","doi":"10.1016/j.jpcs.2024.112417","DOIUrl":"10.1016/j.jpcs.2024.112417","url":null,"abstract":"<div><div>This report investigates the dielectric and magnetic behavior of Molybdenum (Mo)-incorporated ZnFe₂O₄ prepared via combustion route with different dopant concentrations (0.0, 0.1, 0.25, 0.5, 0.75, and 1.0 wt%). XRD patterns reveal the cubic spinel structures with a slight increase in lattice constant while replacing Mo at Fe sites. Mo doped induced lattice constant increase from 8.444 to 8.469 Å coupled with a significant increase in density. Raman spectroscopy reveals a decrement in the peak broadening of the A_1g mode at higher Mo concentrations, indicating longer phonon lifetimes. Scanning electron microscopy (SEM) and EDX analysis confirm the agglomerated pseudo-spherical structures with uniform elemental distribution over the surface. Further, the dielectric constant values exhibit a slightly decreasing trend with increasing frequency, and the mechanisms were discussed based on the intrinsic polarization due to the charge imbalance between Fe³⁺ and Fe²⁺ states. Further, the magnetic measurements confirm the soft magnetic behavior with saturation magnetization ranging from 13.72 to 14.61 emu/g and coercivity between 07 (Oe) to 44 (Oe). The overall findings demonstrate that Mo doping in ZnFe₂O₄ significantly modifies the dielectric and magnetic properties, making it a promising material for various technological applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571432","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":"High-performance NiMn2O4@MXene nanocomposites for aqueous zinc-ion battery","authors":"Miao Han,&nbsp;Hongsheng Jia,&nbsp;Yubo Wang,&nbsp;Siqi Li,&nbsp;Yuanlong E,&nbsp;Yanqing Liu","doi":"10.1016/j.jpcs.2024.112411","DOIUrl":"10.1016/j.jpcs.2024.112411","url":null,"abstract":"<div><div>With the continuous consumption of lithium resources and the safety risks brought by organic electrolytes in lithium-ion batteries, aqueous zinc-ion batteries are expected to be the next generation of key energy storage devices to replace lithium-ion batteries. Among many zinc-ion battery cathode materials, manganese-based materials and MXene materials occupy the main positions respectively. Among them, Nickel manganate (NiMn₂O₄) nanosheets and MXene as active materials have received extensive attention. In addition, MXene has excellent electrical conductivity and is conducive to ion transport, and NiMn₂O₄ nanosheets provide more active sites for electrochemical reactions. At a current density of 0.2 A g⁻¹, the NiMn₂O₄@MXene nanocomposite obtained a high specific capacitance of 319.9 mAh g⁻¹. In addition, NiMn₂O₄@MXene nanocomposites showed A high specific capacity of 129.8 mAh g⁻¹ after 800 cycles at a current density of 0.5 A g⁻¹. Therefore, NiMn₂O₄@MXene nanocomposites are expected to be a strong contender for the next generation of zinc-ion battery cathode materials in high energy density storage systems.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538789","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":"Thermoelectric and electrical transport properties of mixed-conducting multicomponent oxides based on Ba(Zr,Ce)O3-δ","authors":"K. Kuc,&nbsp;M. Czudec,&nbsp;D. Jaworski,&nbsp;J. Budnik,&nbsp;A. Mielewczyk – Gryń,&nbsp;M. Gazda,&nbsp;T. Miruszewski","doi":"10.1016/j.jpcs.2024.112416","DOIUrl":"10.1016/j.jpcs.2024.112416","url":null,"abstract":"<div><div>In this work, the chosen physicochemical properties of single-phase multicomponent oxides BaTi_1/8Fe_1/8Co_1/8Y_1/8Zr_1/8Sn_1/8Ce_1/8Hf_1/8O_3-δ and BaTi_1/9Fe_1/9Co_1/9Y_1/9Zr_1/9Sn_1/9Ce_1/9</div><div>Hf_1/9Bi_1/9O_3-δ were studied. The microstructure of the compounds strongly depended on the presence of bismuth in the structure. The electrical transport studies showed a level of electrical conductivity of ∼10⁻³ - 10⁻² S/cm in the temperature range 673–1073 K. Electrical conductivity was thermally activated and the dominant conduction mechanism was the hopping of small polarons. Moreover, total electrical conductivity changes in the dry and humidified atmosphere at lower temperatures due to the presence of protonic defects in the structure. Thermoelectric measurements showed a relatively high value of the Seebeck coefficient for studied ceramics. Its values ranged between 50 and 250 μV/K depending on the sample and temperature. The Seebeck coefficient sign was positive, meaning that electron holes <del>and/or oxygen vacancies</del> were predominant charge carriers in oxidizing atmospheres. Additionally, the Seebeck coefficient was found to be different in the humidified atmosphere which indicates an influence of protonic defects on thermoelectric transport. The obtained power factor <em>P</em>_<em>f</em> turned out to be low and dependent on the presence of protonic defects in the structure. This indicates, that the efficiency of the MOs-based operating thermoelectric generators can be controlled by changing the partial pressure of water vapor.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142560967","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":"Stability of spin-spiral magnetic structures in Mn2PtSn","authors":"Payal Saha ,&nbsp;Bhargab Kakati ,&nbsp;Sadikul Alom ,&nbsp;Munima B. Sahariah","doi":"10.1016/j.jpcs.2024.112397","DOIUrl":"10.1016/j.jpcs.2024.112397","url":null,"abstract":"<div><div>The stability of a long-periodic homogeneous spin-spiral configuration in an inverse tetragonal Heusler compound, Mn₂PtSn, is studied with the help of density functional theory calculations. The energetically most stable collinear magnetic state in this system is the ferrimagnetic one. However, the existence of negative phonon frequency makes this configuration dynamically unstable. The energy dispersion plots reveal that an energy minimum exists at <span><math><mrow><mi>q</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>1</mn></mrow></math></span> along [100] and [110] propagating directions, which correspond to a stable non-collinear configuration compared to the collinear spin states. The inclusion of spin–orbit coupling further reduces the ground-state energy without changing the q-vector of the energy minima. The cycloidal spiral configuration, where the spins rotate at an angle of <span><math><mrow><mn>36</mn><mo>°</mo></mrow></math></span> along the propagating direction, is found to be more stable than the screw spiral configuration. The calculated density of state plots further supports the stability of the non-collinear cycloidal spin order. This stable, non-collinear spin-spiral configuration of Mn₂PtSn makes this compound a prospective material for spintronics device applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553486","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":"Exploring the electronic properties of doped zirconia for enhanced optoelectronic applications: A quantum chemical approach","authors":"Vipul Kumar Ambasta ,&nbsp;Somnath Ghosh ,&nbsp;Anik Sen","doi":"10.1016/j.jpcs.2024.112412","DOIUrl":"10.1016/j.jpcs.2024.112412","url":null,"abstract":"<div><div>Zirconia (ZrO₂) is a versatile material with applications in various fields due to its exceptional mechanical strength, thermal stability, and chemical resistance. In recent years, interest has surged in utilizing doped ZrO₂ as photocatalysts. This study investigates the electronic properties of ZrO₂ upon doping with non-metal elements sulfur (S), selenium (Se), and tellurium (Te) using first-principle calculations. The effects of different doping concentrations on the band structure and density of states (DOS) have been examined. Calculations using GGA show significant reductions in the band gap upon doping, indicating potential for improved optoelectronic performance. Specifically, using accurate DFT + U approach we found that doping ZrO₂ with 25 % S led to a band gap reduction from 5.4 eV to 1.2 eV, demonstrating promising result for photovoltaic applications. This study provides valuable insights into the electronic properties of doped ZrO₂ (ZrO_2-xQ_x, Q = S, Se and Te, x = 0.25, 0.5 and 2) paving the way for tailored applications in various technological domains.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553487","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":"Spatial structure design of interlayer for advanced lithium–sulfur batteries","authors":"Lintong Gao,&nbsp;Chunhui Li,&nbsp;Xianyou Wang,&nbsp;Qi Cao,&nbsp;Bo Jing","doi":"10.1016/j.jpcs.2024.112405","DOIUrl":"10.1016/j.jpcs.2024.112405","url":null,"abstract":"<div><div>The practical application of lithium-sulfur (Li–S) batteries has been hindered by the lithium polysulfide shuttle effect. An effective way to solve this problem is to utilize interlayer engineering to confine polysulfides and promote their catalytic conversion. From a spatial perspective, we designed a carbon nanofiber conductive layer (CNF, without Sn content, labeled as 0) and two Sn-doped carbon nanofiber catalytic layers (SCNF, with 10 wt% and 20 wt% Sn content, labeled as 1 and 2, respectively) with different contents of catalyst content, and verified an efficient interlayer structure by adjusting the order of preferential contact between the conductive layer and the catalytic layer with the sulfur cathode to form a hierarchical system for the inhibition and conversion of lithium polysulfide. Electrochemical measurements show that different spatial configurations have significant discrepancies on the electrochemical performance of Li–S batteries. Thus, the space configuration of 210 enables the Li–S battery to provide a specific capacity of up to 1088 mAh g⁻¹ after 100 cycles at 0.2C. Even under the harsh conditions of high sulfur loading (5.6 mg cm⁻²) and lean electrolyte (E/S = 10 μL mg⁻¹), the Li–S battery was able to cycle stably for 94 cycles at 0.2C with 87 % capacity retention. This study provides a novel spatial strategy for advancing the spatial design of high-performance Li–S batteries.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142537954","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":"Effect of surface charge on laser-produced silver nanoparticles for dye reduction and surface-enhanced Raman spectroscopy","authors":"Hamza Qayyum ,&nbsp;Shafqat Hussain ,&nbsp;Waqqar Ahmed ,&nbsp;Ameenah N. Al-Ahmadi ,&nbsp;Abdel-Haleem Abdel-Aty","doi":"10.1016/j.jpcs.2024.112408","DOIUrl":"10.1016/j.jpcs.2024.112408","url":null,"abstract":"<div><div>Silver nanoparticles (Ag NPs) are widely used in biological, chemical, and physical fields due to their distinct properties. However, the effect of surfactants with different polarities on the catalytic and surface-enhanced Raman spectroscopy (SERS) performance of Ag NPs has not been thoroughly studied. Here, we tailor the surface charge of laser-synthesized Ag NP without changing their morphology and investigate their catalytic and SERS capabilities. The surfactant-free silver nanoparticles (NPBare), synthesized via pulsed laser ablation in liquid (PLAL), are subsequently coated with ionic surfactants sodium dodecyl sulfate (NPSDS) and cetyltrimethylammonium bromide (NPCTAB). The synthesis and morphology of Ag NPs are confirmed using UV–Vis absorption spectroscopy and scanning electron microscopy. The surface charge of fabricated NPs is determined using zeta potential (ZP) measurements. The ZP values of NPBare, NPSDS, and NPCTAB are determined to be −17 mV, 28.7 mV, and 5.58 mV, respectively. The catalytic activity of bare and coated Ag NPs was tested against the cationic and anionic dyes, Methylene blue (MB) and Methyl orange (MO) respectively. The reduction rate of both dyes was highest when using NPBare. However, in the case of coated nanoparticles, the rate of MB and MO reduction depends on the difference between the ZP of the dye and nanoparticles: the rate of reduction increases with the difference between the zeta potentials of the dye and coated nanoparticles increases. The SERS capability of bare and coated NPs was evaluated for anionic (MO) and cationic (MB, Rhodamine B, and Crystal Violet) dyes. The SERS intensity of dyes strongly enhanced with the increase in ZP difference between the dye molecules and NPs. Surface charge modified NPs shown excellent SERS sensitivity with detection limit up to nanomolar for dye molecules as well as the homogeneity of NPs demonstrated in Raman mapping results with relative standard deviation of 17 %. The results suggest that the electrostatic interaction between the nanoparticles and dye molecules plays a dominant role in SERS enhancement. These findings highlight the significance of surface charge in improving the catalytic and sensing properties of noble metal nanoparticles.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538708","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":"Dual-functional MnS nanomaterials: Efficient adsorbent for phosphate removal and sonocatalyst for textile dye degradation","authors":"P. Sravandas ,&nbsp;Libu K. Alexander","doi":"10.1016/j.jpcs.2024.112409","DOIUrl":"10.1016/j.jpcs.2024.112409","url":null,"abstract":"<div><div>Naturally abundant, environmentally friendly alternatives for replacing the expensive lanthanum-based phosphate removal technique are sought after. Solocatalysis is an emerging area for water remediation. This study introduces a dual-functional MnS nanomaterial for removing phosphate ions and Congo Red textile dye. MnS nanomaterials were synthesized via a hydrothermal route. Batch adsorption experiments revealed a phosphate adsorption capacity of 160.73 mg P/g, commendable for adsorbent in its bare form. Thermodynamic parameters of the process indicated a spontaneous, exothermic process, confirming favourable adsorption. FTIR analysis confirmed the adsorption mechanism, which includes electrostatic attraction, surface complexation, and ion exchange. MnS maintained its adsorption capacity despite competing ions, demonstrating a selective affinity for phosphate ions. MnS showed high sonocatalytic efficiency, degrading Congo Red dye within 10 min of ultrasonic irradiation. The degradation mechanism of Congo Red dye in the sonocatalytic process is proposed. This novel metal chalcogenide material exhibits exceptional affinity for phosphate ions and Congo Red dye molecules, surpassing La-based adsorbents in efficacy. The results suggest that MnS nanomaterials are promising for practical applications in phosphate removal and textile dye degradation from wastewater.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538710","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 interface charge transfer through heterostructure coupling of NiO/NiCo2O4 and carbon layer for photocatalysis","authors":"Simin Li ,&nbsp;Lemin Li ,&nbsp;Hang Yang ,&nbsp;Tianshuo Sui ,&nbsp;Fengbing Tang ,&nbsp;Jingbo Mu ,&nbsp;Ziran Chang","doi":"10.1016/j.jpcs.2024.112404","DOIUrl":"10.1016/j.jpcs.2024.112404","url":null,"abstract":"<div><div>Constructing heterogeneous composite materials is a promising strategy for enhancing photocatalytic performance. In this study, the calcination method was employed to coat a carbon layer onto the surface of quartz sand. Additionally, NiO/NiCo₂O₄ heterostructures were loaded onto the carbon layer to facilitate charge transfer and enhance photo-generated electron yield. The carefully designed QSC@NiO/NiCo₂O₄ heterojunction possesses an efficient interface charge transfer channel, thereby improving contaminant degradation capacity. The results demonstrated that under 120 min of light exposure, the removal efficiencies for RhB and MB reached 94.75 % and 93.55 %, respectively. After undergoing 5 cycles, both RhB and MB exhibited consistently high elimination rates with values of 83.74 % and 77.42 %, respectively. Furthermore, tapping experiments were conducted to explore the mechanism of photocatalytic degradation.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553488","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}