Chemical Physics Impact最新文献

{"title":"The effects of Eu3+ concentration on the photoluminescence of Na4Ca (PO3)6 phosphors prepared by a solid-state reaction method","authors":"K.B. Morebodi ,&nbsp;S.N. Ogugua ,&nbsp;Vinay Kumar ,&nbsp;H.C. Swart","doi":"10.1016/j.chphi.2024.100718","DOIUrl":"10.1016/j.chphi.2024.100718","url":null,"abstract":"<div><p>A series of Na₄Ca (PO₃)₆: <em>x</em>mol% Eu³⁺ (<em>x</em> = 1, 2, 3, 4 and 5) was synthesized using a solid-state method and characterized using various techniques. The X-ray powder diffraction data confirmed that the phosphors crystalized in the monoclinic phase. The Fourier-transform infrared spectroscopy confirmed the presence of phosphate groups and an H<img>O-H peak. The optical bandgaps got smaller as the Eu³⁺ concentration went up as seen in the diffuse reflectance data. The photoluminescence excitation spectra obtained when monitoring the 613 nm emission line showed peaks assigned to 4f→4f Eu³⁺ transitions. When the excitation was monitored at 394 nm, the emission exhibited strong narrow bands at 591, 613, 651 and 698 nm owing to the ⁵D₀ → ⁷F_{J (J} ₌ _{0 - 4)} transitions of Eu³⁺. The main emission peak increased with Eu³⁺ concentration from 1 mol% to 4 mol% and decreased significantly as the Eu³⁺ concentration reached 5 mol%. The concentration quenching effect is responsible for the drop in PL intensity at concentrations higher than the optimum Eu³⁺ concentration. The International Commission on Illumination (CIE) chromaticity coordinates of the phosphors displayed colour response in the orange- red region, suggesting that they have potential application in the orange-red colour-emitting light displays.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002627/pdfft?md5=8d388f29e7224044d8d6d61136f2595b&pid=1-s2.0-S2667022424002627-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142049111","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, structure, DFT study and molecular docking inspection of spirobi[hexahydropyrimidine]-diones derivative","authors":"Malahat Kurbanova ,&nbsp;Suraj N. Mali ,&nbsp;Fidan Gurbanova ,&nbsp;Haya Yasin ,&nbsp;Shailesh S. Gurav ,&nbsp;Chin-Hung Lai","doi":"10.1016/j.chphi.2024.100716","DOIUrl":"10.1016/j.chphi.2024.100716","url":null,"abstract":"<div><p>It has been established that three-component condensation of benzaldehyde, acetone and urea catalyzed H₂SO₄ leads to the formation of spirobi[hexahidropyrimidine]-dione derivatives. The structure of the synthesized compound has been proved by X-ray method. The results of the quantum theory of atom-in-molecule and noncovalent interaction index analysis showed no intramolecular hydrogen bonds in the molecule studied. However, it contains four N<img>H bonds and two C<img>O groups. Based on the result of the DFT-NBO analysis, it was the lone pairs of oxygen on the C<img>O group which are forming strong orbital interactions with the antibonding orbital of the C<img>N single bond. The molecular docking was performed to investigate potential binding interactions of the compound with four target proteins including 5I4T (HIV-1), 5R7Z, 6M71 and 6VYB (SARS-Cov-2). Additionally, in-silico drug-likeness and ADME studies suggested oral activity (violations ≤ 1) of scaffold and predicted to be actively effluxed by P-gp (PGP+).</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002603/pdfft?md5=b6173f2bf92374ad9f5160db932a5f94&pid=1-s2.0-S2667022424002603-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142083897","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Slowdown of solvent structural dynamics in aqueous DMF solutions","authors":"Akhil Pathania ,&nbsp;Sayan Bagchi","doi":"10.1016/j.chphi.2024.100711","DOIUrl":"10.1016/j.chphi.2024.100711","url":null,"abstract":"<div><p>This study presents a comprehensive investigation into the molecular dynamics of solvation environments through an integrated approach combining Fourier-transform infrared (FTIR) spectroscopy, molecular dynamics (MD) simulations, and two-dimensional infrared (2D IR) spectroscopy. We explore the solvation of an ionic solute (ammonium thiocyanate) in various solvent systems, including N,N-dimethylformamide (DMF), water, and a 0.5 mole fraction of DMF in water, aiming to unravel the intricate interplay between solute-solvent interactions and solvent dynamics across diverse solvation environments. By integrating FTIR spectral analysis with radial distribution functions and coordination numbers obtained from MD simulations, we decipher the solvent composition around the solute molecule. Analysis of 2D IR spectra and hydrogen bond, as well as dipolar autocorrelation function from MD simulations, further elucidates the nuances of solute-solvent interactions, highlighting the impact of solvent dynamics on solvation structures. Our results reveal a significant slowdown of the solvent structural dynamics in the equimolar binary solvent mixture compared to the neat solvents. This slowdown underscores the complex relationship between solute-solvent interactions and solvent dynamics. The integration of FTIR, MD simulations, and 2D IR spectroscopy provides a unified framework for obtaining a holistic understanding of solvation dynamics, offering valuable insights into the underlying molecular mechanisms governing solute-solvent interactions in complex systems. These results pave the way for future studies to delve deeper into the molecular intricacies of solvation phenomena.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S266702242400255X/pdfft?md5=e02183113f7998063dae346baf915666&pid=1-s2.0-S266702242400255X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142084395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green photoluminescence, supercapacitor and cytotoxic properties of nickel doped haematite nanoparticles","authors":"S. Deepthi ,&nbsp;Y.S. Vidya ,&nbsp;H.C. Manjunatha ,&nbsp;K.N. Sridhar ,&nbsp;S. Manjunatha ,&nbsp;R. Munirathnam ,&nbsp;M. Shivanna ,&nbsp;Suman kumar ,&nbsp;T. Ganesh","doi":"10.1016/j.chphi.2024.100708","DOIUrl":"10.1016/j.chphi.2024.100708","url":null,"abstract":"<div><p>Fe<span><math><msub><mrow></mrow><mn>2</mn></msub></math></span>O<span><math><msub><mrow></mrow><mn>3</mn></msub></math></span>: Ni (1–9 mol.%) nanoparticles (NPs) were synthesized using the co-precipitation method and calcined at <span><math><mrow><mn>500</mn><mspace></mspace><msup><mrow></mrow><mo>∘</mo></msup></mrow></math></span>C for 12 h. The crystallite size, phase, crystallinity, and structural parameters were analyzed via powder X-ray diffraction. The Bragg reflections confirmed that the synthesized NPs crystallize in a pure hexagonal crystal structure with space group R-3c. Surface morphology analysis revealed agglomerated NPs of irregular sizes and shapes. Energy Dispersive X-ray Analysis confirmed the presence of Fe, O, and Ni elements, as well as the purity of the sample. Both the direct band gap energy and crystallite size decreased with increasing dopant concentration. Detailed studies were conducted on the photoluminescence and anticancer properties. The CIE coordinates indicated a color tuning from blue to green in the visible region. CIE coordinates and CCT values ranging between 2860 to 9547 k demonstrated that the synthesized nanophosphor material meets the requirements of display technology. Additionally, anticancer properties were investigated using HeLa cells and compared with the standard drug cisplatin for biomedical applications. Electrochemical investigations revealed super capacitance values ranging from 93.43 to 149.13 F/g at a scan rate of 10 mV/s with increasing Ni<span><math><msup><mrow></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></math></span> concentration. Therefore, the synthesized Ni<span><math><msup><mrow></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></math></span>-doped hematite NPs show great promise in display technology, the biomedical field, and as supercapacitors in energy storage devices.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002524/pdfft?md5=c5f46b2d8ad6692699b54cbfee8a6de4&pid=1-s2.0-S2667022424002524-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation of SrVO3 by annealing of Sr2V2O7 in a reducing atmosphere","authors":"Edward Lee ,&nbsp;Richard A. Harris ,&nbsp;Jacobus J. Terblans ,&nbsp;Elizabeth Coetsee ,&nbsp;Vinay Kumar ,&nbsp;Hendrik C. Swart","doi":"10.1016/j.chphi.2024.100715","DOIUrl":"10.1016/j.chphi.2024.100715","url":null,"abstract":"<div><p>This study focuses on the synthesis of SrVO₃ through the reduction of Sr₂V₂O₇ by annealing in a reducing atmosphere. The effects of annealing temperature and annealing duration on Sr₂V₂O₇ were investigated. The X-ray powder diffraction pattern showed that stoichiometric changes to Sr₂V₂O₇ were achieved only at an elevated annealing temperature of 1000 °C in a reducing atmosphere, and that the desired SrVO₃ was obtained only after 144 h of annealing. Further investigation of SrVO₃ was performed using X-ray photoelectron spectroscopy, which confirmed that the reduction of V⁵⁺ found in Sr₂V₂O₇ to V⁴⁺ found in SrVO₃ was achieved.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002597/pdfft?md5=4a6d8cabe2fe2bd060906ac0fe84a47b&pid=1-s2.0-S2667022424002597-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142049115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study of heavy metals adsorption using a silicate-based material: Experiments and theoretical insights","authors":"Lisdelys González-Rodrı́guez ,&nbsp;Yoan Hidalgo-Rosa ,&nbsp;Julio Omar Prieto Garcı́a ,&nbsp;Manuel A. Treto-Suárez ,&nbsp;Karel Mena-Ulecia ,&nbsp;Osvaldo Yañez","doi":"10.1016/j.chphi.2024.100714","DOIUrl":"10.1016/j.chphi.2024.100714","url":null,"abstract":"<div><p>Heavy metal toxicity in water is a serious problem with harmful effects on human health and the ecosystem. This research studied a silicate-based material as an adsorbent for removing four heavy metals from aqueous solutions. The target metal pollutants selected include manganese (Mn²⁺), copper (Cu²⁺), cobalt (Co²⁺), and zinc (Zn²⁺). First, theoretical tools including potential energy surface analysis, Natural Population Analysis, AIM, Wiberg Bond Index, QTAIM, and topological methods offer profound insights into the nature of interactions present in the Mg₂O₈Si₃M (M = Mn²⁺, Cu²⁺, Co²⁺, Zn²⁺) clusters. Second, the synthesis and characterization of eco-friendly hydrated amorphous magnesium silicate (MgOSiO₂nH₂O) was developed. Last, a simple kinetic adsorption test was applied to assess the material selectivity towards heavy metals and support theoretical results. The kinetic adsorption study was analyzed through the pseudo-first and second-order kinetics, Elovich, and the intraparticle diffusion models. The theoretical analysis of the adsorption energies indicates that the adsorption of four metal ions on the Mg₂O₈Si₃ surface is energetically favorable in all cases. The material displayed the following adsorption sequence: Cu²⁺ (59 mg g^-1) &gt; Zn²⁺(25 mg g^-1) ≈ Co²⁺ (23 mg g^-1) &gt; Mn²⁺ (15 mg g^-1). This knowledge can then be used to design and optimize low-cost silicate-based materials for effective heavy metal removal, contributing to efforts to address environmental pollution and protect public health.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002585/pdfft?md5=165f781fbee1cc8635a75cc21d956199&pid=1-s2.0-S2667022424002585-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142088973","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Studies on chlorophenyl, thiophenyl, and biphenyl clubbed tetrahydro bipyrazole carbaldehydes: Synthesis, antimicrobial and antioxidant activity, SAR study, in-silico pharmacokinetics, toxicity, and molecular modeling","authors":"Avika ,&nbsp;Nitin Kumar ,&nbsp;Haya Yasin ,&nbsp;Shikha Sharma ,&nbsp;Suraj N. Mali ,&nbsp;Shailesh S. Gurav","doi":"10.1016/j.chphi.2024.100713","DOIUrl":"10.1016/j.chphi.2024.100713","url":null,"abstract":"<div><p>A library of chlorophenyl, thiophenyl, and biphenyl clubbed 3′,4,4′,5-tetrahydro-2′H-[1,3′-bipyrazole]-2′-carbaldehydes was produced via aldolic condensation followed by hetero-cyclization. Synthesized moieties were characterized by IR, ¹H, and ¹³CNMR spectral analysis. The molecular docking was conducted utilizing microbial target proteins, 1JX9, and 5C1P to explore the binding interactions of scaffolds. Analogues 4f, 4l, 4r, and 4x exhibited the best docking score of -10.3 kcal/mol with 1JX9 whereas scaffolds 4l and 4o showed maximum docking of -10.4 and -10.2 kcal/mol with target protein 5C1P. Further, scaffolds 4f, 4I, 4l, 4o, 4 u, and 4v showed excellent (pMIC: 1.92 µM/mL) antibacterial activity against <em>S. aureus, B. subtilis, E. coli, P. aeruginosa</em> whereas; analogues 4c, 4l, 4o, 4r, and 4v exhibited admirable (pMIC: 1.92 µM/mL) antifungal activity against <em>R. oryzae</em> fungal strain. Also, analogues were tested for their radical scavenging ability and 4a, 4 g, 4i, 4p, and 4x exhibited good antioxidant activity with 4i standing out as a propitious scaffold with 93.25  % radical scavenging activity. SAR study revealed that biphenyl, 4‑hydroxy-3‑methoxy phenyl, and thiophenyl moieties on the bipyrazole-carbaldehyde scaffold are accountable for virtuous antibacterial, antifungal, and antioxidant activity, respectively. Further in-silico ADME, pharmacokinetic, and toxicity properties were studied, forecasting less-toxic analogues (300 &lt; LD₅₀ ≤ 5000). These findings collectively underscore the potential of the synthesized compounds, with 4l, 4o, 4v and 4x standing out as particularly promising candidates for further exploration.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002573/pdfft?md5=d6ad12f05232359149f6f8a85571ecde&pid=1-s2.0-S2667022424002573-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142044311","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Shining a light on Co(terpyridine)2 complexes: Unravelling the impact of ligand substitution at the 4’-position on optical and electrochemical properties through experimental and theoretical investigations","authors":"Sonia ,&nbsp;Anjani Kumar Pandey ,&nbsp;Indresh Verma ,&nbsp;Binitendra Naath Mongal","doi":"10.1016/j.chphi.2024.100706","DOIUrl":"10.1016/j.chphi.2024.100706","url":null,"abstract":"<div><p>The present work involves synthesis, characterisation and study of absorption, emission and electrochemical properties of cobalt(III) bis-terpyridine complexes with varying substituent at the 4’-position of the central pyridine ring of terpyridine moiety. The work clearly demonstrates the modulation of the light harvesting window with changing the substituent viz. phenyl, naphthalenyl and thienyltriphenylamine. The naphthalenylterpyridine based cobalt complex shows considerable room temperature luminescence. Cyclic voltammetry data of the complexes reveal a reversible Co^III/II based redox feature. DFT based structure optimisations for all the complexes were performed at the B3LYP level using 6-31G (d,p) and LANL2DZ basis sets. TD-DFT based theoretical calculations were performed with the optimised structures to simulate the experimental absorption spectrum for all the complexes and hence the electronic transitions for the observed absorption peaks were assigned.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002500/pdfft?md5=96fc639a86993668c53da9c9fc22c2b6&pid=1-s2.0-S2667022424002500-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142083898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of antibacterial and antifungal properties of benzene sulfonamide derivatives by experimental and computational studies","authors":"Özge Kapısuz ,&nbsp;Mithun Rudrapal ,&nbsp;Ülküye Dudu Gül ,&nbsp;Sanket S. Rathod ,&nbsp;Mesut Işık ,&nbsp;Mustafa Durgun ,&nbsp;Johra Khan","doi":"10.1016/j.chphi.2024.100712","DOIUrl":"10.1016/j.chphi.2024.100712","url":null,"abstract":"<div><p>This study investigates the antibacterial and antifungal properties of eight benzene sulfonamide derivatives synthesized and reported in our previous study using a combination of experimental and computational methods. In antimicrobial activity, the MIC values of all the eight tested compounds were approximately 125.00 μg/mL against eight bacterial and three fungal strains. However, the compound <strong>8</strong> was found to exhibit remarkable activity (MIC=31.25 μg/mL) against <em>E. faecalis</em> (bacteria) and <em>C. parapsilosis</em> (fungi) compared to the MIC values of rest of the compounds. Results of <em>in-silico</em> drug-likeness and pharmacokinetic (ADMET) assessment reveal that all the title compounds met the compliance of criteria of drug-likeness rules and exhibited zero violations across. Results of docking study demonstrates that the compound <strong>8</strong> showed the highest binding affinity (-8.7 kcal/mol) among the compounds against <em>S. aureus</em> TyrRS, whereas against <em>S. aureus</em> DHFR, compound <strong>2</strong> exhibited the highest binding afinity of -8.5 kcal/mol. Among the compounds docked against <em>C. albicans</em> DHFR and <em>C. albicans</em> N-myristoyl transferase, compound <strong>8</strong> demonstrated the highest binding affinity of -8 kcal/mol and -8.9 kcal/mol, respectively. The results of antibacterial and antifungal experiments substantiate the predictions made by computational studies and provide empirical evidence of antibacterial and antifungal potential of the reported benzene sulfonamide derivatives.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002561/pdfft?md5=2744a957297b437b5b0526d1fa70d049&pid=1-s2.0-S2667022424002561-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142058469","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical analysis of Yttrium chromate nanoparticles synthesized via green mediated combustion route","authors":"Nasir Ahamed N ,&nbsp;H.C. Manjunatha ,&nbsp;Y.S. Vidya ,&nbsp;R. Munirathnam ,&nbsp;S. Manjunatha ,&nbsp;M. Shivanna ,&nbsp;Sahana R ,&nbsp;Jayadev Pattar","doi":"10.1016/j.chphi.2024.100704","DOIUrl":"10.1016/j.chphi.2024.100704","url":null,"abstract":"<div><p>Yttrium Chromate (YCrO₄) nanoparticles (YC<img>NPs) were synthesized using a solution combustion method with a green extract (<em>NeemLeaves</em> extract as a reducing agent. The as-obtained NPs are allowed for calcination at 600 °C. The PXRD pattern showed Bragg reflections confirming the formation of a pure tetragonal phase of YC NPs belonging to the space group I 41/a m d:1. without impurity peaks. The surface morphology revealed smaller, irregularly sized, and shaped NPs with pores and hollows which is the characteristic of solution combustion synthesis. UV–visible spectroscopic analysis confirmed the various absorbance peaks. The energy band gap, determined from Wood and Tauc's plot, was 3.08 eV. FTIR analysis confirmed the presence of specific functional groups in the sample. Electrochemical analysis revealed a specific capacitance range of 61.52 to 40.18 F/g within the scan range of 10 mV/s to 50 mV/s which is due to Increasing scan rate reduces specific capacitance by limiting ion diffusion into deeper pores, favoring interaction with the surface, thus decreasing utilization of active sites and overall capacitance. Collectively, these findings suggest that YC<img>NPs hold promise for practical applications in advanced energy storage devices.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002482/pdfft?md5=09687efaa322e59ad8e0b163d34d3377&pid=1-s2.0-S2667022424002482-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142083900","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}