Zeitschrift für Physikalische Chemie最新文献

{"title":"Impact of annealing temperature on the structural, morphological and optical properties of Ni doped ZnO nanostructured thin films synthesized by sol–gel methodology","authors":"Balaprakash Vadivel, Thangavel Krishnasamy, Mahitha Mohan, Geetha Appukkutti, Gowrisankar Ponnusamy, Sakthivel Ranganathan","doi":"10.1515/zpch-2023-0460","DOIUrl":"https://doi.org/10.1515/zpch-2023-0460","url":null,"abstract":"\u0000 Nickel doped zinc oxide (NZO) nanostructured thin films were prepared by hydrolysis and poly condensation reaction based on the sol–gel methodology. Nanostructured thin films were prepared over the glass substrate by dip coating. Prepared samples were annealed at 350 °C and 450 °C respectively to tune the desired characteristics. The XRD studies endorses the prepared films were polycrystalline in nature and high intensity sharp peaks were exhibited in (101) direction. EDAX results confirms the presence of Ni, Zn and O elements. FESEM results exhibits the spherical like morphology throughout the sample. The typical grain size of prepared samples are vary from 35 nm to 105 nm. Results of the FTIR divulges the different composition of prepared NZO samples. UV–vis spectrophotometer results reveals that the fabricated 1 at.% NZO thin films annealed at 450 °C were guaranteed to have the lowest absorbance of less than 10 %, while the 0.5 at.% NZO thin films have an energy band gap of roughly 3.08 eV. The obtained results of the prepared films are useful for devices like solar cells, optoelectronic devices, flat panel displays, anticorrosion and surface protection applicant against stainless steel etc.","PeriodicalId":23847,"journal":{"name":"Zeitschrift für Physikalische Chemie","volume":"101 21","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140370814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of Zr substitution on photocatalytic and magnetic properties of lanthanum titanate","authors":"V. G. Prabitha, Jhelai Sahadevan, Kamalraj Subramaniam, Velayudhan Pillai Sreejith, Subalakshmi Kumar, Esakki Muthu Sankaran, F. Husain, Ashok Kumar Kaliamurthy","doi":"10.1515/zpch-2024-0585","DOIUrl":"https://doi.org/10.1515/zpch-2024-0585","url":null,"abstract":"\u0000 Photocatalysis is considered a highly promising method to treat water samples contaminated with organic pollutants. Zirconium-doped lanthanum titanate (LaTi1−x\u0000 Zr\u0000 x\u0000 O3, where x = 0 (LTO) and 0.05 (LZTO)) NPs were synthesized by the auto-combustion method and characterized by X-ray diffraction analysis (XRD), UV–visible diffuse reflectance spectroscopy (UV–vis DRS), Fourier transform infrared (FTIR), field emission scanning electron microscope (FE-SEM), and Raman spectroscopy. LTO and LZTO have tetragonal structure with an average crystalline size of 16 nm and 13 nm respectively. The band gap from UV–vis DRS was estimated to be 3.52 and 3.36 eV, respectively. The analysis of surface morphology indicates that the addition of Zr disrupted the crystal structure of LTO and transformed its spherical morphology into a rod-like structure. The Raman spectra of the LTO and LZTO crystal structure revealed the presence of A\u0000 g and B\u0000 2g symmetry phonons. The magnetic properties were analysed by vibrating sample magnetometer (VSM) which confirmed the ferromagnetic behaviour. LZTO nanoparticles have been shown to have an efficiency of 92 % after 80 min of degradation. The synthesized LZTO samples exhibited enhanced ferromagnetic behaviour and improved photoactivity for the degradation of methylene blue dye as compared to those of pure LTO, make LZTO a good choice for magnetically separable photocatalysts that effectively purify contaminated water.","PeriodicalId":23847,"journal":{"name":"Zeitschrift für Physikalische Chemie","volume":"130 36","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140369895","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficiency assessment of hydrothermally synthesized Mn2+/3+ modified LaCoO3 nanoparticles for advanced wastewater remediation","authors":"Jhelai Sahadevan, Sudhi Suresh, Kulathuraan Kavu, Velusamy Periyasamy, Esakki Muthu Sankaran, Ikhyun Kim, Imran Hasan, Sivaprakash Paramasivam","doi":"10.1515/zpch-2023-0516","DOIUrl":"https://doi.org/10.1515/zpch-2023-0516","url":null,"abstract":"\u0000 The use of light and a particular material known as a photocatalyst to degrade hazardous dyes in wastewater is an exciting new development in the field of photocatalytic dye degradation. In this study we investigated the characteristic properties and photocatalytic dye degradation of manganese doped lanthanum cobalt (LaCoO3 (LCO)) nanoparticles (NPs). The NPs were synthesised using hydrothermal synthesis techniques and analysed its properties by utilising diverse technologies such as XRD, FeSEM with EDAX, Raman Spectroscopy, Photoluminescence spectroscopy and UV-DRS. From XRD analysis we found that the Mn doped LCO NPs have single phase rhombohedral crystal structures with R\u0000 \u0000 \u0000 \u0000 \u0000 \u0000 3\u0000 ‾\u0000 \u0000 \u0000 \u0000 $bar{3}$\u0000 \u0000 \u0000 \u0000 c space group and doping cause expansion of lattice. Surface morphology of the synthesised NPs was found to be altered from spherical to spine/rod like microstructure when Mn is incorporated to LCO lattice. PL spectroscopies show broad photoemission at 360–490 nm after absorbing 310 nm light. From the UV–Vis spectroscopy the optical bandgap of the materials around 4.5 eV, indicating they can absorb visible light effectively. LCO can absorb both UV and visible light, expanding its potential for outdoor applications under natural sunlight. Doping LCO with other elements can modify its bandgap and improve its activity towards specific dyes. LCO exhibits good chemical and thermal stability, making it reusable for multiple cycles. While LCO shows promise as a visible light photocatalyst for dye degradation, its efficiency can vary significantly depending on the specific conditions. We tested Congo Red (CR) dye with prepared photocatalyst to study how well they breakdown in visible light. Studies have reported degradation rates for different dyes ranging from 50 to 90 % within an hour under optimized conditions. The LCMO nanoparticles exhibited noteworthy photocatalytic activity, as evidenced by a degradation efficiency of 77 % within a 30 min timeframe. Our findings indicate that LCMO nanoparticles possess significant potential for environmental clean-up.","PeriodicalId":23847,"journal":{"name":"Zeitschrift für Physikalische Chemie","volume":"21 19","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140374818","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unveiling the role of rare earth dopant in metal molybdate nanocomposites via facile microwave-combustion strategy and their effect on antibacterial activity","authors":"Abdul Samad Shameem, Mohan Uma Priya, Vadivel Siva, Anbazhagan Murugan, Krishnasamy Padmavathi, Abdullah G. Al-Sehemi","doi":"10.1515/zpch-2023-0403","DOIUrl":"https://doi.org/10.1515/zpch-2023-0403","url":null,"abstract":"\u0000 Developing a robust material holding antimicrobial assets has been an efficient strategy for reducing the risk of infections related to healthcare, significantly with medical devices and touch surfaces. Molybdenum-based compounds have drawn momentous attraction because of their unique characteristics. A series of undoped and 5 % rare earth (Ce & La) doped metal (Ni, Co & Bi) molybdate nanocomposites have been prepared by facile microwave combustion method and characterized. The present study investigates the effect of dopants on crystal structure and morphology, and their impact on anti-bacterial properties is noticed. The UV–Vis. absorption spectra of all samples show a broad absorption band between 280 and 430 nm. The antibacterial properties of the prepared nanocomposites have been examined by the agar diffusion method against three Gram-positive and two Gram-negative bacteria, showing good bactericidal efficiency for all samples, except 5 % Ce–NiMoO4 (antibacterial activity exclusively against Gram-positive bacteria) and 5 % La–NiMoO4 (no antibacterial activity) nanocomposites. This work provided a novel pathway in the biomaterial field.","PeriodicalId":23847,"journal":{"name":"Zeitschrift für Physikalische Chemie","volume":"21 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140413115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Kinetics, equilibrium and thermodynamics investigations of polypyrrole and polyaniline composites with Oryza sativa biomass for the removal of Nitenpyram insecticide","authors":"Rabia Asghar, H. N. Bhatti, Amina Khan, F. F. Al-Fawzan, Munawar Iqbal","doi":"10.1515/zpch-2023-0568","DOIUrl":"https://doi.org/10.1515/zpch-2023-0568","url":null,"abstract":"\u0000 In this research, composite materials were prepared by combining polypyrrole (PPY) and polyaniline (PAN) with Oryza sativa (OS). These biocomposites were utilized for the adsorption of Nitenpyram (insecticide), from aqueous solutions. The study involved the optimization of various process variables including contact time, pH, adsorbent dose and initial Nitenpyram concentration. The maximum sorption efficiency of OS for Nitenpyram was observed at pH 2, biosorbent dose of 0.05 g, an initial Nitenpyram concentration of 125 mg/L and contact time of 30 min. To analyze the Nitenpyram adsorption process, the adsorption data for OS and its composites (OS-PPY and OS-PAN) were subjected to equilibrium isotherms and kinetics models (pseudo-first and pseudo-second-orders). The Langmuir isotherm and pseudo-second-order explained the Nitenpyram adsorption data. Furthermore, the feasibility of the adsorption was evaluated by employing thermodynamic studies. The outcomes of the study demonstrated the promising efficiency of the synthesized biocomposites for Nitenpyram removal, which was 37.03, 43.0 and 35.71 (mg/g) in the case of OS, OS-PPY and OS-PAN composites. These findings suggest that the composites have promising potential for the removal of pesticides from wastewater, contributing to the development of effective strategies for environmental remediation.","PeriodicalId":23847,"journal":{"name":"Zeitschrift für Physikalische Chemie","volume":"23 30","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140409520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular level interaction, molecular structure, chemical reactivity, electronic and topological exploration and docking studies of 1-acetyl-4-piperidinecarboxylic acid","authors":"Selvakumari Selvaraj, Muthu Sambantham, Manikandan Ayyar, S. Kadaikunnan, Naiyf S. Alharbi","doi":"10.1515/zpch-2023-0543","DOIUrl":"https://doi.org/10.1515/zpch-2023-0543","url":null,"abstract":"\u0000 The current study deals with the theoretical enquiries of 1-acetyl-4-piperidinecarboxylic acid, a derivative of piperidine. The moiety of piperidine has extensive spread of usages in the field of pharmacology. Employing DFT techniques, theoretical analysis on the caption compound was performed and optimised molecular structure was obtained. Energy gap between HOMO and LUMO along with global reactivity parameters, NLO behaviour, molecular electrostatic potential studies were computed and analysed for the heading compound in gaseous & solvent phases (methanol, ethanol and acetone). On the chemical in the title, topology research such as ELF, LOL and RDG were conducted in different phases. Electron2013hole analysis on excited states was executed. The TD-DFT methodology has been used to assist in the scrutiny of the UV–visible spectra in dissimilar solvents. The energy of interaction and densities of electron of acceptor and donor bonds were computed using NBO research. To confirm the reactive sites in the molecule, Fukui functions were accomplished. Additionally, docking studies against antithrombotic targets were achieved employing autodock tools and drug-like characteristics were also discovered. The steadiness of the targeted proteins has also been projected using Ramachandran plots.","PeriodicalId":23847,"journal":{"name":"Zeitschrift für Physikalische Chemie","volume":"34 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140410990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Purification of water using TiO2/g-C3N5 nanocomposite: a visible light assisted photocatalytic activity","authors":"Jayashree Chandrasekar, M. Venkatesan, Ja-Hon Lin, Chi-Ching Kuo","doi":"10.1515/zpch-2023-0560","DOIUrl":"https://doi.org/10.1515/zpch-2023-0560","url":null,"abstract":"\u0000 Tetracycline hydrochloride (TCN), widely recognized for its broad-spectrum efficacy and cost-effectiveness as an antibiotic, has raised significant environmental and health concerns due to its contamination in water bodies. This study introduces an innovative approach to address this issue by employing a titanium dioxide/graphitic carbon nitride (TiO2/g-C3N5) nanocomposite through photocatalysis. The synthesis of this composite involved a hydrothermal method, and a comprehensive characterization was conducted using XRD, FT-IR, and SEM techniques. The formed heterojunction between TiO2 and g-C3N5 exhibited remarkable photocatalytic degradation capabilities, achieving a removal rate of over 85 % within a short period of 135 min. This signifies the composite’s efficiency in breaking down TCN in aqueous environments. Beyond its high effectiveness, the TiO2/g-C3N5 nanocomposite presents itself as an environmentally friendly and sustainable solution for addressing the critical issues associated with antibiotic contamination in water. This study underscores the potential of photocatalysis using TiO2/g-C3N5 as a promising technology for mitigating the adverse effects of TCN on both ecosystems and human health.","PeriodicalId":23847,"journal":{"name":"Zeitschrift für Physikalische Chemie","volume":"13 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140418128","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Probing the structural and electronic properties of MAX phases and their corresponding MXenes using first-principles calculations","authors":"A. Banu, Sastipriyaa Padmanaaban, Ramesh Kannan, Sujin P. Jose","doi":"10.1515/zpch-2024-0018","DOIUrl":"https://doi.org/10.1515/zpch-2024-0018","url":null,"abstract":"\u0000 This study delves into the theoretical exploration of the structural and electronic characteristics of 2D monolayer MXenes (M\u0000 n + 1X\u0000 n\u0000 ) by the elimination of Al layers from their corresponding MAX-phases, M\u0000 n + 1AX\u0000 n\u0000 (n = 1–3), through meticulous first-principles calculations. The study encompasses structural optimization and the determination of key ground state properties, including equilibrium lattice constants, energy (E\u0000 0), and volume (V\u0000 0) of both MXenes and their corresponding MAX phases. Consequently, we investigated the comparative study of the electronic properties of M\u0000 n + 1AlC\u0000 n\u0000 (M = Ti, V, or Cr) (n = 1–3) and their MXenes for the first time by calculating the Bader charge analysis (MAX phase only) and the density of states (DOS). The analysis extends to the density of states and Bader charge assessments, facilitating a comprehensive comparison. Remarkably, the MXene monolayer showcases an elevated density of states at the Fermi level compared to its MAX phase counterpart. This disparity stems from the redistribution of 3d electrons near the Fermi level following the removal of Al layers, consequently enhancing electronic conductivity. Cohesive energy and formation energy calculations affirm the structural stability of these compounds. Furthermore, our computed values are meticulously cross-referenced with existing experimental and theoretical data, stimulating the reliability and significance of our findings.","PeriodicalId":23847,"journal":{"name":"Zeitschrift für Physikalische Chemie","volume":"45 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140420394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of the composition and morphology of raw materials from the Aral Sea region","authors":"Davron Kurbanov, Savithri Mylsamy, Biao Zhou, Zabibulla Babayev, R. Bazarbayev, A. Allaniyazov, Subramanian Balakumar, Guanggen Zeng, Komiljon Yakubov, Smagul Karazhanov","doi":"10.1515/zpch-2023-0401","DOIUrl":"https://doi.org/10.1515/zpch-2023-0401","url":null,"abstract":"\u0000 Clay and clay-based minerals have attracted research attention because of their unique properties and a vast range of applications in industry. In order to assess the potential applications, four different processed local kaolin-based raw minerals were collected from the Aral Sea region of Uzbekistan, and the total mineralogical properties have been explored. The results reveal that the structural, vibrational and electronic properties of metakaolinites only slightly differ from those of kaoline. The presence of corundum, quartz and kaolinite structural phase in minerals was determined by XRD analysis. FTIR and Raman studies expose the primary peaks which are associated with the functional groups of Al–OH, Al–O and Si–O in higher-frequency stretching and lower-frequency bending modes. The elemental and chemical compositional (XRF and XPS) analysis demonstrates the presence of major elements (Al, Si, Na, Fe, Ti) in the raw mineral and other metal contaminations (Mg, Ca, S, Cr, Zr). The SEM analysis demonstrates the morphological nature of kaolin-based raw minerals that can be exploited for industrial purposes.","PeriodicalId":23847,"journal":{"name":"Zeitschrift für Physikalische Chemie","volume":"56 16","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140419793","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical state and atomic structure in stoichiovariants photochromic oxidized yttrium hydride thin films","authors":"Halil Arslan, Alexei Kuzmin, I. Aulika, D. Moldarev, M. Wolff, D. Primetzhofer, I. Pudza, Karlis Kundzins, A. Sarakovskis, J. Purāns, Smagul Karazhanov","doi":"10.1515/zpch-2023-0507","DOIUrl":"https://doi.org/10.1515/zpch-2023-0507","url":null,"abstract":"\u0000 We investigate the effective oxidation state and local environment of yttrium in photochromic YHO thin film structures produced by e-beam evaporation, along with their chemical structure and optical properties. Transmission electron microscopy images reveal the oxidized yttrium hydride thin film sample exhibiting a three-layered structure. X-ray photoelectron spectroscopy (XPS) measurements manifest that the oxidation state of yttrium is modified, dependent on the film’s composition/depth. Furthermore, Ion beam analysis confirms that this variability is associated with a composition gradient within the film. X-ray absorption spectroscopy at the Y K-edge reveals that the effective oxidation state of yttrium is approximately +2.5 in the transparent/bleached state of YHO. Spectroscopic ellipsometry investigations showed a complex non-linear optical depth profile of the related sample confirming the dominant phase of YHO and the presence of Y2O3 and Y towards the middle of the film. The first evidence of (n; k) dispersion curves for e-beam sputtered photochromic YHO thin films are reported for transparent and dark states.","PeriodicalId":23847,"journal":{"name":"Zeitschrift für Physikalische Chemie","volume":"12 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140421148","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}