Journal of Physics and Chemistry of Solids最新文献

{"title":"Effect of surface charge on laser-produced silver nanoparticles for dye reduction and surface-enhanced Raman spectroscopy","authors":"","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":"","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":"","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}

{"title":"Insight into enhanced adsorption of Congo red by petal-like MgAl2O4: Effect of dehydroxylation","authors":"","doi":"10.1016/j.jpcs.2024.112398","DOIUrl":"10.1016/j.jpcs.2024.112398","url":null,"abstract":"<div><div>This paper reports a facile treatment to enhance the capacity of petal-like MgAl₂O₄ for Congo red (CR) adsorption. The influence of dehydroxylation treatment on the adsorption performance of petal-like MgAl₂O₄ is investigated. FT-IR, XPS, TG, XRD and FE-SEM are employed to analyze the differences between samples without and with dehydroxylation. Mechanism on the adsorption capacity improvement of CR by MgAl₂O₄ after dehydroxylation is investigated systematically. Results show that the adsorption process conforms well to the pseudo-second-order kinetic model and Langmuir isotherm model. The adsorption mechanism study shows that the adsorption of CR on petal-like MgAl₂O₄ is mainly due to chemisorption including Lewis acid-base interaction and electrostatic attraction. It is observed that the maximum adsorption capacity of petal-like MgAl₂O₄ after dehydroxylation reaches 3264.54 mg/g, much higher than sample without dehydroxylation (591.72 mg/g). Most Lewis acid sites of petal-like MgAl₂O₄ (Mg²⁺ and Al³⁺) without dehydroxylation process are occupied by hydroxyl groups. It is not conductive to combine with –NH₂ and –SO₃^2- in CR molecular, resulting in the deterioration of adsorption performance. The activity of Mg²⁺ and Al³⁺ in MgAl₂O₄ can be recovered greatly after the removal of hydroxyl groups, and it is favorable to the adsorption between MgAl₂O₄ and CR.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571581","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":"An inorganic lead-free Cs2SnI6-based perovskite solar cell optimization by SCAPS-1D","authors":"","doi":"10.1016/j.jpcs.2024.112377","DOIUrl":"10.1016/j.jpcs.2024.112377","url":null,"abstract":"<div><div>Cs₂SnI₆ is an environmentally friendly and reliable perovskite solar cell (PSCs) material. Its optimal band gap and strong light absorption make it a promising candidate for the absorption layer. However, the current challenge is to improve its photoelectric conversion efficiency. To address this, this study investigates the performance of PSCs based on Cs₂SnI₆ using SCAPS-1D simulation. The influence of various factors on PSC performance is examined, including different hole transport layers(HTLs) and electron transport layers(ETLs), perovskite layer thickness, ETL doping density, HTL doping density, absorber doping density, perovskite layer defect density, different back contacts and temperature. Finally, a Cs₂SnI₆-based solar device with an inorganic configuration of FTO/NiO/Cs₂SnI₆/SnO₂/Au has been developed, reaching the power conversion efficiency(PCE) of 28.69 %. The study demonstrates that Cs₂SnI₆ PSCs exhibit promising photovoltaic performance, offering valuable insights for the solar energy sector in the production of cost-effective, efficient, and environmentally friendly Cs-based perovskite solar cells.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571434","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":"Rape straw biochar-assisted preparation of flower-like BiOCl with enriched oxygen vacancies for efficient photocatalytic CO2 reduction and pollutants degradation","authors":"","doi":"10.1016/j.jpcs.2024.112400","DOIUrl":"10.1016/j.jpcs.2024.112400","url":null,"abstract":"<div><div>Utilizing photocatalytic technology to transform CO₂ into high added value chemical products has represented an effective strategy for alleviating the climate problems that have arisen due to excessive CO₂ emissions. As a typical bismuth-based photocatalyst, BiOCl has garnered widespread attention due to its unique layered structure and low toxicity. However, the low light utilization efficiency and the rapid recombination of e⁻/h⁺ pairs severely hinder the practical application of BiOCl. Introducing oxygen vacancies (OVs) into BiOCl has been demonstrated to be one of the effective strategies for enhancing the photocatalytic performance of BiOCl. However, introduction of OVs through a mild and cost-effective approach remains a significant challenge. In this work, we developed a strategy for introducing OVs on BiOCl, which indues the growth of BiOCl into flower-like spherical structures and introduction of abundant OVs through addition of rape straw biochar (RC) under hydrothermal conditions. The synergistic interaction of RC and OVs endows with BiOCl more active sites as well as higher photogenerated carriers (e⁻/h⁺) separation efficiency. When the mass ratio of RC to BiOCl is 0.5 % (RC-0.5), the sample demonstrates the best performance, conversion of CO₂ to CO on the sample is 4.0 μmol g⁻¹ h⁻¹, which is 3.08 times higher than that on the reference BiOCl. Additionally, versatility of the photocatalysts was further evaluated through photocatalytic degradation of rhodamine B (RhB) and perfluorooctanoic acid (PFOA). The degradation rate constant of RhB and PFOA on the RC-0.5 sample is 0.0642 min⁻¹ and 0.00566 min⁻¹, respectively, which is 2.26 times and 0.43 times higher than that on the reference BiOCl. Total organic carbon (TOC) experiments demonstrate that RhB can be effectively mineralized into CO₂, H₂O and small molecules on the photocatalyst. The main reactive species involved in the photocatalytic degradation process were investigated through active free radical trapping experiments and electron paramagnetic resonance (EPR). This work provides a viable strategy for the development of high-performance BiOCl photocatalysts for environmental applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538081","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":"Innovative design strategies for solar cells: Theoretical examination of linearly graded perovskite solar cell with PTAA as HTL","authors":"","doi":"10.1016/j.jpcs.2024.112401","DOIUrl":"10.1016/j.jpcs.2024.112401","url":null,"abstract":"<div><div>Over the previous few decades, numerous scientific and theoretical approaches have been employed to increase solar cell efficiency. To improve PV cell efficiency, this study employs grading methodologies and modifies temperature, series resistance, different defect densities, and graded layer thickness. The paper presents a theoretical examination of the linearly graded device structure (Au/PTAA/CsPbBr_3-xI_x/TiO₂/FTO). A linearly graded perovskite layer, responsible for absorbing a wide range of light spectra with different wavelengths, assists in bettering the solar cell's characteristics. In this device, polytriarylamine (PTAA) acts as an HTL, and TiO₂ acts as an ETL. SCAPS-1D, a simulation program, is used for our theoretical analysis. The output results obtained from the simulation are as follows: PCE of 20.50 %, J_SC of 18.071 mA cm⁻², V_OC of 1.4531 V, and FF of 78.08 %.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142537963","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":"Redox-mediated synthesis of Cu2O/CuO/Mn3O4/C quaternary nanocomposites as an efficient electrode material for oxygen reduction reaction and supercapacitor application","authors":"","doi":"10.1016/j.jpcs.2024.112402","DOIUrl":"10.1016/j.jpcs.2024.112402","url":null,"abstract":"<div><div>Earth-abundant transition metal oxides (TMOs) hold significant promise as electroactive materials in various electrochemical energy conversion and storage applications, offering economic and environmental advantages over their less abundant counterparts. In this work, a simple and cost-effective redox-mediated reaction strategy under hydrothermal conditions has been adopted to synthesize the quaternary nanocomposites Cu₂O/CuO/Mn₃O₄/C with variable amounts of carbon. The synthesized nanocomposites have been characterized using various analysis techniques, including powder X-ray diffraction (PXRD), field emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR) and Brunauer–Emmett–Teller (BET). The synthesized COM5 nanocomposite (Cu₂O/CuO/Mn₃O₄/C-50), when used as an electrocatalyst for the oxygen reduction reaction (ORR), demonstrates a good limiting current density (<em>J</em>_L), half-wave potential (<em>E</em>_1/2), and onset potential (<em>E</em>_onset) of −5.50 mA/cm², 0.75 V, and 0.95 V, respectively, as per the polarization curve. The COM5 nanocomposite exhibits a four-electron transfer mechanism, calculated using the Koutecky-Levich (K-L) equation. In an O₂-saturated 0.1M KOH solution, the COM5 nanocomposite has shown a superior relative current durability of 84.46% over 14,000 s compared to the commercially available 10 wt% Pt/C, indicating its potential application in the ORR. However, for supercapacitor applications, the COM3 nanocomposite (Cu₂O/CuO/Mn₃O₄/C-20) as active electrode material in galvanic charge-discharge (GCD) study shows superior performance (201 F/g at 1 A/g) compared to the COM2 nanocomposite (117 F/g at 1 A/g) in neutral aqueous electrolyte, possibly due to the lower charge transfer resistance (R_ct) of 24.04 Ω compared to COM2 (34.63 Ω). In two-electrode studies, the COM3 nanocomposite exhibits a good energy density of 24.19 Wh/kg at 1 A/g and a 4.7 kW/kg power density at 5 A/g. Additionally, the COM3 nanocomposite shows excellent long-term durability (74% capacitance retention) at the current density of 5 A/g for 8000 cycles. The electrochemical findings indicate that the COM3 nanocomposite stands out as a superior electrode material for supercapacitors, while the COM5 nanocomposite proves to be an effective electrocatalyst for the oxygen reduction reaction.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538083","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":"Chemically functionalized diamanes - A new class of hybrid 2D materials: DFT insight into crystal, mechanical, and electronic properties","authors":"","doi":"10.1016/j.jpcs.2024.112395","DOIUrl":"10.1016/j.jpcs.2024.112395","url":null,"abstract":"<div><div>This work describes crystal and electronic structures of a new class of 2D hybrid organic-inorganic compounds based on AB-stacked diamane. Seven members thereof are considered: methyl-, pyrrolyl-, 1,2,4-triazolyl-, phenyl-, pyridinyl-, and pyrimidinyl-substituted (two isomers) diamane. DFT calculations show that an electronic structure of diamane can be modulated by organic functional groups. The chemically functionalized diamanes are semiconductors with HSE06 electronic bandgaps falling in the range [2.09–4.91] eV. Other means of diamane electronic structure tuning include variation of coverage of a diamane surface by substituents, mixing of substituents and changing their mutual orientation. Based on the obtained results we conclude that the functionalized diamanes may serve as photovoltaic materials operable in Vis and near UV spectral regions. Owing to a similarity of the aromatics-substituted diamanes to low-dimensional hybrid metal halide perovskites with aromatic organic cations the former could be photoluminescent. An enhanced resistance of the investigated materials to water is expected.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142537855","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":"Correlation of Seebeck coefficient and selenization temperature in CuSe thin films grown on glass substrate","authors":"","doi":"10.1016/j.jpcs.2024.112399","DOIUrl":"10.1016/j.jpcs.2024.112399","url":null,"abstract":"<div><div>Copper selenide is emerging as a promising thermoelectric material that has the ability to harvest electricity from heat. In the present research work, copper selenide thin films were grown on glass substrate using thermal evaporation deposition technique. The phase transition from cubic to hexagonal structure was achieved by the selenization of grown samples at different temperatures (250, 300 and 350 °C) for 2 h. The phase, morphology and thermoelectric properties of the selenized CuSe thin films were studied using different characterization techniques. It was observed that the structural, morphological, and thermoelectric properties of the samples were modulated by varying the selenization temperature. XRD results suggested that as grown sample possessed a cubic phase but it transformed into hexagonal phase by selenization process. It was observed that Seebeck coefficient, electrical conductivity and power factor were modulated with the selenization temperature with maximum value of power factor (3.0 × 10⁻⁵±0.5 W m⁻¹C⁻²) was obtained at optimal selinization temperature.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142537962","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}