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Synthetization and Characterization of Mo-doped Mn4Si7 by High Energy Ball Mill 高能球磨法制备掺钼Mn4Si7及表征
4区 物理与天体物理
Indian Journal of Pure & Applied Physics Pub Date : 2023-01-01 DOI: 10.56042/ijpap.v61i9.3491
{"title":"Synthetization and Characterization of Mo-doped Mn4Si7 by High Energy Ball Mill","authors":"","doi":"10.56042/ijpap.v61i9.3491","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3491","url":null,"abstract":"Mn4Si7 is a non-degenerating semiconductor with an indirect band gap of 0.77eV having multi-domain applications. The Mn4Si7 and Mo-doped Mn4Si7 were synthesized by high-energy ball milling at 600 RPM for 50H. From the X-ray diffraction (XRD), the tetragonal phase was observed. The average crystalline size was estimated by the Debye-Scherrer equation which lies below ~25 nm. The morphology studies reveal different shapes and sizes were observed by scanning electron microscopy (SEM).","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"2013 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135496238","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
DFT and Molecular Docking Studies of an Antiviral Drug: Molnupiravir 抗病毒药物莫努匹拉韦的DFT与分子对接研究
4区 物理与天体物理
Indian Journal of Pure & Applied Physics Pub Date : 2023-01-01 DOI: 10.56042/ijpap.v61i9.3125
{"title":"DFT and Molecular Docking Studies of an Antiviral Drug: Molnupiravir","authors":"","doi":"10.56042/ijpap.v61i9.3125","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3125","url":null,"abstract":"This paper presents computational analysis of molnupiravir, the first orally administered antiviral drug approved by MHRA for the cure of COVID-19. Molnupiravir is the derivative of N4-hydroxycytidine with a ribose residue attached to an isobutyrate ester group. Method based on DFT has been employed to establish the optimised structure, electronic and optical parameters of the drug molecule. Further, molecular docking of molnupiravir on SARS-CoV-2 protein, glucocorticoid receptor (PDB ID: 1M2Z) has been performed so as to examine the preferred affinity and binding pattern of the drug.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"7 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135494673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis of MoO3 Nanostructures by Solid State Reaction Method for Selective Adsorption of Cationic Dyes 固相反应法制备选择性吸附阳离子染料的MoO3纳米结构
4区 物理与天体物理
Indian Journal of Pure & Applied Physics Pub Date : 2023-01-01 DOI: 10.56042/ijpap.v61i9.2628
{"title":"Synthesis of MoO3 Nanostructures by Solid State Reaction Method for Selective Adsorption of Cationic Dyes","authors":"","doi":"10.56042/ijpap.v61i9.2628","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.2628","url":null,"abstract":"","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"45 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135494677","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unsteady MHD CNTs-blood Nanofluid Flow and Heat Transfer under the Effects of Viscous Dissipation, Resistive heating, and Thermal Radiation over a Sensor Surface Accompanied by Variable Viscosity 非定常MHD碳纳米管-血液纳米流体在粘性耗散、电阻加热和热辐射影响下的流动和传热
4区 物理与天体物理
Indian Journal of Pure & Applied Physics Pub Date : 2023-01-01 DOI: 10.56042/ijpap.v61i10.3592
{"title":"Unsteady MHD CNTs-blood Nanofluid Flow and Heat Transfer under the Effects of Viscous Dissipation, Resistive heating, and Thermal Radiation over a Sensor Surface Accompanied by Variable Viscosity","authors":"","doi":"10.56042/ijpap.v61i10.3592","DOIUrl":"https://doi.org/10.56042/ijpap.v61i10.3592","url":null,"abstract":"The numerical scrutiny of unsteady incompressible magneto-hydrodynamics (MHD) for blood flow in carbon nano tubes (CNTs), past a sensor surface has been presented under the influences of viscous dissipation, resistive heating, and thermal radiation. The variables without having dimensions have been deployed to alter the reigning flow equations, which are non-linear, coupled partial differential equations (PDEs), into the system of non-linear coupled ordinary differential equations (ODEs). The bvp4c tool of MATLAB software has been exercised to obtain the numerical solutions of the dimensionless governing system. The graphs and tables have been formed for the SWCNT-blood and MWCNT-blood nano-liquids for the velocity and temperature profiles versus the unsteadiness parameter, magnetic parameter, magnetic field inclination angle, radiation parameter, and Eckert number. It has been observed that the velocity profile of MWCNT-blood nanofluid is higher than the velocity profile of SWCNT-blood nanofluid except for radiation parameter and Eckert number. However, a reverse trend has been noted for temperature profiles for both nanofluids for all other governing parameters. The comparison tables, for the values of the local skin friction factor and the local Nusselt number, for the various governing parameters, match with outcomes of the previously reported data and validate the employed technique for the solution.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"301 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135494881","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigating Adsorption Behaviour of Cobalt Vanadate Nanocomposites on Methylene Blue Dye 钒酸钴纳米复合材料在亚甲基蓝染料上的吸附行为研究
4区 物理与天体物理
Indian Journal of Pure & Applied Physics Pub Date : 2023-01-01 DOI: 10.56042/ijpap.v61i9.3521
{"title":"Investigating Adsorption Behaviour of Cobalt Vanadate Nanocomposites on Methylene Blue Dye","authors":"","doi":"10.56042/ijpap.v61i9.3521","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3521","url":null,"abstract":"(α, β)-CoV3O8/V4O7 nanocomposites have been successfully synthesized through a facile hydrothermal method at low temperature. The structural properties of these nanocomposites are characterized via Powder X-ray diffraction, Fourier Transform Infrared spectroscopy (FTIR), Scanning electron microscopy (SEM), and X-ray energy dispersive spectroscopy (EDX) analysis. Synthesized nanocomposites were determined to have an approximate crystalline size of 3.72 nm, and SEM imaging exhibited aggregated irregular rectangular shaped nanocomposites. Adsorption kinetics and isotherms were examined, and the outcomes showed that the adsorption followed pseudo-second-order kinetic model and Langmuir isotherm. Adsorption of methylene blue dye was investigated using (α, β)-CoV3O8/V4O7 nanocomposites at varying concentrations of the dye. 20 μM aqueous solution of methylene blue was found to have a high adsorption efficiency of almost 95% in 5 minutes.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135496253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electronic Spectroscopic Study of Stability of L-Ascorbic Acid (Vitamin C) in Aqueous Solutions of Salts (NaHCO3, NaCl, and KCl) l -抗坏血酸(维生素C)在盐(NaHCO3、NaCl和KCl)水溶液中稳定性的电子光谱研究
4区 物理与天体物理
Indian Journal of Pure & Applied Physics Pub Date : 2023-01-01 DOI: 10.56042/ijpap.v61i9.3486
{"title":"Electronic Spectroscopic Study of Stability of L-Ascorbic Acid (Vitamin C) in Aqueous Solutions of Salts (NaHCO3, NaCl, and KCl)","authors":"","doi":"10.56042/ijpap.v61i9.3486","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3486","url":null,"abstract":"Ascorbic acid commonly known as Vitamin C, is a water-soluble anti-oxidant that is essential for the growth, development, and repair of tissues. The stability of this molecule can be affected by several factors, including pH, temperature, and other factors. We aim to study the stability of ascorbic acid in presence of common food additive and ions such as Na+, K+, Cl-, and HCO3- that are naturally present in human body via spectroscopic measurement. Physiological concentration of sodium, potassium and chloride ions has no influence on the stability. When ascorbic acid was added to a 0.175 MHCO3- aqueous solution, a strong peak was detected at 265.0 nm due to the presence of ascorbate anion. However, within 75 minutes, this peak disappeared completely, indicating significant decomposition. At a lower, physiological 0.035 M concentration of HCO3- , the peak persisted at 265.0 nm, and the rate of decomposition was slower. Our findings suggest that the elevated levels of HCO3- in serum plasma would rapidly decompose ascorbic acid, underscoring the importance of maintaining proper physiological balance in vivo.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"6 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135496260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Experimental and Theoretical Characterization of the Crystal Structure of 4,4-dimethoxy-1,1-biphenyl (4-DMB) 4,4-二甲氧基-1,1-联苯(4- dmb)晶体结构的实验与理论表征
4区 物理与天体物理
Indian Journal of Pure & Applied Physics Pub Date : 2023-01-01 DOI: 10.56042/ijpap.v61i9.3099
{"title":"Experimental and Theoretical Characterization of the Crystal Structure of 4,4-dimethoxy-1,1-biphenyl (4-DMB)","authors":"","doi":"10.56042/ijpap.v61i9.3099","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3099","url":null,"abstract":"4,4-dimethoxy-1,1-biphenyl has been synthesized and its chemical structure has been characterized by various spectroscopic techniques like FT-IR, 1H & 13C NMR, and SC-XRD methods. The structure reveals the existence of two C-H⋯π and a weak π…π interaction which are primarily responsible for the stability of the crystal packing. A comparison of the X-ray structure & its optimized data using DFT has been made. The frontier molecular orbital analysis (FMO) reveals an energy gap of 4.57 eV and the molecular electrostatic potential map shows the charge distribution in the molecule. The two-dimensional fingerprint maps as emanated from the Hirshfeld analysis demonstrates the presence of H…H, C…H and O…H interactions. The molecular docking analysis has also been performed with tyrosinase (3NQ1).","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"114 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135494679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effects of Chromium (Cr) doping on Structural, Electronic and Magnetic Properties of Barium Selenide Compound: A Theoretical Investigation 铬(Cr)掺杂对硒化钡化合物结构、电子和磁性能影响的理论研究
4区 物理与天体物理
Indian Journal of Pure & Applied Physics Pub Date : 2023-01-01 DOI: 10.56042/ijpap.v61i9.3507
{"title":"Effects of Chromium (Cr) doping on Structural, Electronic and Magnetic Properties of Barium Selenide Compound: A Theoretical Investigation","authors":"","doi":"10.56042/ijpap.v61i9.3507","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3507","url":null,"abstract":"The structural, electronics, and magnetic properties of Ba1-xCrxSe compound at doping concentrations, x=0.06, 0.12, and 0.25 were investigated using full potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). The Wu-Cohen generalized-gradient approximation (WC-GGA) exchange correlation potentials were used to compute structural properties, while the electronic and magnetic properties were explored using the WC-GGA coupled with modified Becke-Johnson (mBJ) scheme. Our findings show that Ba1-xCrxSe are half-metallic ferromagnets (HMFs) having 100% spin polarization at Fermi level (EF). For investigated compounds, the half-metallic gap gets narrow out as doping concentration rises from 6% to 25%.All compounds are confirmed to be ferromagnetic since the Cr atom is able to induce an integral total magnetic moment of ~ 4.0 μB. By creating new states at EF as a result of fractional replacement of Cr at Ba site, half-metallicity and magnetism get developed, which makes them potentially relevant for spintronic applications.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"2 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135496001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
DFT Study of Hexagonal Boron Nitride Electronic Properties Using Different Types of Exchange Correlation Functionals 利用不同类型的交换相关泛函研究六方氮化硼的电子性质
4区 物理与天体物理
Indian Journal of Pure & Applied Physics Pub Date : 2023-01-01 DOI: 10.56042/ijpap.v61i10.2805
{"title":"DFT Study of Hexagonal Boron Nitride Electronic Properties Using Different Types of Exchange Correlation Functionals","authors":"","doi":"10.56042/ijpap.v61i10.2805","DOIUrl":"https://doi.org/10.56042/ijpap.v61i10.2805","url":null,"abstract":"Density functional theory (DFT) description of electronic structure and related properties offer significant accuracy with low cost. Unfortunately, most of these calculations based on LDA and GGA Exchange-Correlation (XC) functionals are underestimating the energy band gap. Hybrid functionals seem promising candidates for band gap values enhancement. Hexagonal Boron Nitride (h-BN) is one of the important members of the graphene-like two-dimensional honeycomb structure family which is of great importance both for science and technology. Experimentally, there is convincing evidence for an indirect wide bandgap of about 6 eV. We present in this work a systematic DFT study using different types of Exchange-Correlation (XC) functionals to find out their accuracy to estimate the h-BN band gap along with its band structure and density of states. We tested five types of different functionals to study the band structure and density of states of a single-layer h-BN. Small differences have been noticed regarding band structure and density of state details. Nevertheless, HSE03 deduced the band gap accurately within a 3.4% deviation from the experimental value compared with LDA which showed a 24.4% error.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"7 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135494884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Study of Radon Concentration in Drinking Water of Lolab valley, Kashmir Himalaya 克什米尔-喜马拉雅罗拉布山谷饮用水氡浓度研究
4区 物理与天体物理
Indian Journal of Pure & Applied Physics Pub Date : 2023-01-01 DOI: 10.56042/ijpap.v61i6.2433
{"title":"A Study of Radon Concentration in Drinking Water of Lolab valley, Kashmir Himalaya","authors":"","doi":"10.56042/ijpap.v61i6.2433","DOIUrl":"https://doi.org/10.56042/ijpap.v61i6.2433","url":null,"abstract":"In the present study, radon concentration has been estimated in drinking water samples of different locations of Lolab in Kupwara district of Kashmir valley. A scintillation based detector, (Smart RnDuo) has been used to evaluate the radon concentration in collected drinking water samples. In addition, the surface contamination of gamma radiations at each location was detected using portable gamma ray detector (PM 1405, Polimaster Inc., USA). The radon concentration in drinking water samples has been found to vary from 3.27 to 59.50 BqL−1, with an average of 23.65 BqL-1.The annual inhalation dose varied from 0.01 to 0.15 mSvy-1. The average annual inhalation dose was found to be 0.06 mSvy-1 and it lies well within the permissible limits.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"18 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135686190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
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