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Optoelectronic and thermoelectric properties of spinel chalcogenides HgLa2X4（X=S and Se）:A first-principles study

Journal of Rare Earths 2024年第10期42卷 1927-1936页

作者： Aparna Dixit Inas A.Ahmed Jisha Annie Abraham Zeinhom M.El-Bahy Mumtaz Manzoor Sajad Ahmad Dar Ramesh Sharma department of Basic science and humanities Pranveer Singh Institute of Technology department of Chemistry Faculty of ScienceKing Khalid University department of Physics National Defence Academy department of Chemistry Faculty of ScienceAl-Azhar University Institute of Physics Slovak Academy of Sciences department of Physics Motilal Vigyan Mahavidyalya College department of Applied science Feroze Gandhi Institute of Engineering and Technology

We investigated spinel chalcogenides HgLa2（S/Se）4by using density function theory,and scrutinized the structural,optical,electrical,mechanical and thermoelectric transport characteristics of HgLa2（S/Se）4spinel *** enthalpy of formation,energy of cohesion,and energy volume optimum plots were used to obtain the stability as well as the perfect ground state of these *** ductility of these materials was the best illustrated with the help of Poisson's and Pugh's *** band gap results were obtained using Trans and Blaha modified Becke-Johanson potential（TB-mBJ）.Both the materials present semi-conducting nature with direct band gap equal to 1.449 and 0.892 eV respectively for HgLa2S4and *** were also made for optical characteristics with the values of dielectric function,absorption coefficient,optical conductivity,reflectivity,and refractive *** to the findings,both of these materials are suitable for infrared optoelectronic *** materials were found to have promising optoelectronic and thermoelectric applications after their optical properties and transport aspects were *** tiny levels of temperature conductivities,substantial am ounts of power conductivities,the figure of merit（more than unity）,as well as Seebecs coefficients all point to the potential use of both the materials in thermoelectric power generators.

关键词： Density functional theory Direct band gap Optoelectronic Power factor Semiconductors Thermoelectric

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Emission colour tuning in KLnF_(4):Yb^(3+),Er^(3+)/Ho^(3+)phosphor

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Journal of Rare Earths 2024年第1期42卷 57-65,I0002页

作者： Janani K Gayathri E Vijayatha V Ramasubramanian S Thiyagarajan P department of science and humanities Nehru Institute of TechnologyKaliapuramThirumalayampalayamCoimbatoreIndia department of sciences Amrita School of Physical SciencesAmrita Vishwa VidyapeethamCoimbatoreIndia department of Physics Anna UniversityChennaiIndia

KLnF_(4):Yb^(3+),Er^(3+)/Ho^(3+)(Ln=Y,Yb,Gd)phosphors were prepared by solid-state reaction *** each of the Yb^(3+)/Er^(3+)and Yb^(3+)/Ho^(3+)co-doped phosphors independently,phase confirmation and morphological examination were accomplished using the X-ray diffraction technique and scanning electron microscope analysis.X-ray photoelectron spectroscopy analysis shows the charge state and existence of lanthanides and *** luminescence emissions of green and red colour were detected for the synthesized *** changes in the upconverted emission intensities and colour output pertaining to the change of the lanthanide host matrix along with dopants were investigated for the prepared *** the upconversion luminescence,erbium-doped samples exhibit a predominance of red emission while holmium-doped samples display a prevalence of green *** rare-earth Er/Ho doped KYbF4shows strong red emission compared to other ***_(4):Yb,Er/Ho exhibits relatively significant green upconve rsion emissions,while Yb,Er-doped KGdF_(4)host displays a 10-fold increase in green/red emission ratio with an increase in the input power of 20-780 *** photoluminescence studies and decay curve analysis were carried out using UV light excitation for the developed phosphors.A higher lifetime of 2.2 ms was measured for the downshifting red emission in the Ho doped KYbF_(4)*** study suggests a potential for colour tunability in the upconversion and downshifting emissions through host modifications to the fluoride phosphor.

关键词： Rare earths Energy transfer upconversion Downshifting Colour coordinates

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Ir single atoms on NiFeZn-LDH matrix for exceptional oxygen evolution reaction

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Nano Research 2024年第8期17卷 7039-7044页

作者： Muhammad Israr Muhammad Humayun Jiaqi Zhang Khadim Shah Xin Tan Chen Chen Yadong Li department of Chemistry Tsinghua UniversityBeijing 100084China Energy Water and Environment LabCollege of Humanities and SciencePrince Sultan UniversityRiyadh11586Saudi Arabia

To address the sluggish kinetics of the oxygen evolution reaction(OER),a potential approach is to rationally design and fabricate extremely effective single atom catalysts(SACs).Using an appropriate matrix to stabilize single-atom active centers with optimal geometric and electronic structures is crucial for enhancing catalytic ***,we report the design and fabrication of Ir single atoms on NiFeZn layered double hydroxide(Ir-SAC/NiFeZn-LDH)electrocatalyst for highly efficient and stable *** is investigated that the NiFeZn support exhibits abundant defect sites and unsaturated coordination *** sites function to anchor and stabilize single Ir single atoms on the *** strong synergetic electronic interaction between the Ir single atoms and the NiFeZn matrix resulted in remarkable OER performance of the as-fabricated Ir-SAC/NiFeZn *** a loading Ir content of 1.09 wt.%,this catalyst demonstrates a highly stable OER activity,with an overpotential of 196 mV at 10 mA·cm^(−2) and a small Tafel slope of 35 mV·dec^(−1) for the OER in a 1 M KOH *** results significantly surpass the performance of the commercially available IrO_(2) catalyst.

关键词： Ir single atoms layered double hydroxides rational design geometric optimization oxygen evolution reaction

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An Effective Hybrid Model of ELM and Enhanced GWO for Estimating Compressive Strength of Metakaolin-Contained Cemented Materials

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Computer Modeling in Engineering & sciences 2024年第5期139卷 1521-1555页

作者： Abidhan Bardhan Raushan Kumar Singh Mohammed Alatiyyah Sulaiman Abdullah Alateyah department of Civil Engineering National Institute of Technology PatnaPatnaIndia department of Computer Engineering and Applications GLA UniversityMathuraIndia department of Computer science College of Sciences and Humanities-AflajPrince Sattam Bin Abdulaziz UniversityAl-KharjSaudi Arabia department of Computer science College of Science and ArtsQassim UniversityUnaizahSaudi Arabia

This research proposes a highly effective soft computing paradigm for estimating the compressive strength(CS)of metakaolin-contained cemented *** proposed approach is a combination of an enhanced grey wolf optimizer(EGWO)and an extreme learning machine(ELM).EGWO is an augmented form of the classic grey wolf optimizer(GWO).Compared to standard GWO,EGWO has a better hunting mechanism and produces an optimal *** EGWO was used to optimize the ELM structure and a hybrid model,ELM-EGWO,was *** train and validate the proposed ELM-EGWO model,a sum of 361 experimental results featuring five influencing factors was *** on sensitivity analysis,three distinct cases of influencing parameters were considered to investigate the effect of influencing factors on predictive *** consequences show that the constructed ELM-EGWO achieved the most accurate precision in both training(RMSE=0.0959)and testing(RMSE=0.0912)*** outcomes of the ELM-EGWO are significantly superior to those of deep neural networks(DNN),k-nearest neighbors(KNN),long short-term memory(LSTM),and other hybrid ELMs constructed with GWO,particle swarm optimization(PSO),harris hawks optimization(HHO),salp swarm algorithm(SSA),marine predators algorithm(MPA),and colony predation algorithm(CPA).The overall results demonstrate that the newly suggested ELM-EGWO has the potential to estimate the CS of metakaolin-contained cemented materials with a high degree of precision and robustness.

关键词： Metakaolin-contained cemented materials compressive strength extreme learning machine grey wolf optimizer swarm intelligence uncertainty analysis artificial intelligence

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Dynamics of a delay-induced prey-predator system with interaction between immature prey and predators

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International Journal of Biomathematics 2024年第2期17卷 139-176页

作者： Soumik Pandey Abhijit Sarkar Debashis Das Sarbani Chakraborty department of Mathematics West Bengal State University Barasat-7000126West BengalIndia department of Basic science&humanities JIS College of Engineering Kalyani-741235West BengalIndia

In biological pest control systems,several pests(including insects,mites,weeds,etc.)are controlled by biocontrol agents that rely primarily on *** this biocontrol management ecology,we have created a three-tier prey-predator model with prey phase structure and predator gestation *** studies have demonstrated that predators with Holling type-II functional responses sometimes consume immature prey.A study of the well-posedness and local bifurcation(such as saddle-node and transcritical)near the trivial and planer equilibrium points is carried *** any time lag,the prey development coeficient has a stabilizing impact,while increasing attack rate accelerates *** transformation rate and handling time are shown to cause multiple stability switches in the *** results demonstrate time delay is the key destabilizer that destroys *** model can replicate more realistic events by including time-dependent factors and exploring the dynamic behavior of nonautonomous *** the presence of time delay,sufficient conditions of permanence and global attractivity of the nonautonomous system are ***,MATLAB simulations are performed to validate the analytical findings.

关键词： Holling type-II functional response stage-structure bifurcation time delay seasonality

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A Study on the Transmission Dynamics of the Omicron Variant of COVID-19 Using Nonlinear Mathematical Models

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Computer Modeling in Engineering & sciences 2024年第6期139卷 2265-2287页

作者： S.Dickson S.Padmasekaran Pushpendra Kumar Kottakkaran Sooppy Nisar Hamidreza Marasi department of Mathematics Periyar UniversitySalemTamilnadu636011India Faculty of Engineering and Natural sciences Istanbul Okan UniversityIstanbulTurkey department of Mathematics College of Science and Humanities in AlkharjPrince Sattam Bin Abdulaziz UniversityAlkharj11942Saudi Arabia department of Applied Mathematics Faculty of MathematicsStatistics and Computer ScienceUniversity of TabrizTabrizIran

This research examines the transmission dynamics of the Omicron variant of COVID-19 using SEIQIcRVW and SQIRV models,considering the delay in converting susceptible individuals into infected *** significant delays eventually resulted in the pandemic’s *** ensure the safety of the host population,this concept integrates quarantine and the COVID-19 *** investigate the stability of the proposed *** fundamental reproduction number influences stability *** to our findings,asymptomatic cases considerably impact the prevalence of Omicron infection in the *** real data of the Omicron variant from Chennai,Tamil Nadu,India,is used to validate the outputs.

关键词： Omicron local stability reproduction number steady states global stability

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Structural integration of solar desalination system

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science China Materials 2024年第6期67卷 2039-2041页

作者： Diling Yang Hao Zhang Hongbo Zeng School of Materials and Environmental Engineering Hunan University of HumanitiesScience and TechnologyLoudi 417000China department of Chemical and Materials Engineering University of AlbertaEdmontonAlberta T6G 1H9Canada

As population grow and climate change place significant water stress on numerous regions,the demand for efficient and environmentally friendly water resource solutions becomes increasingly *** address this challenge,desalination technology has received much attention and is widely employed,with a recent emphasis on solar-powered solutions driven by the global push for carbon neutrality.

关键词： neutral system integration

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Fuzzy computational study on the generalized fractional smoking model with caputo gH-type derivatives

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International Journal of Biomathematics 2024年第4期17卷 151-194页

作者： Lalchand Verma Ramakanta Mehert department of Mathematics&humanities S.V.National Institute of Technology Surat-395007India

This work considers a generalized fuzzy fractional smoking model with Caputo gHtypes fractional derivatives upon considering the case of uncertainty *** disease-free equilibrium point and stability of the equilibrium point have been discussed for the fuzzy nonlinear fractional smoking *** analytical proofs for the existence and uniqueness of the proposed model are concerned with the help of the fixed-point theorem,Banach contraction,and Schauder theorem.A robust double parametric approach with a generalized transform is used to study the behavior of the fuzzy fractional model in an uncertain context and obtain the convergence analysis of the study in a crisp ***,the obtained results of the proposed model have been validated with the Runge-Kutta method of fourth order in crisp case(s=1,l=O).

关键词： Caputo fractional derivative triangular fuzzy number smoking model q-HAShTM convergence analysis

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Electrochemical performance of a symmetric supercapacitor device designed using laser-induced multilayered graphene

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新型炭材料(中英文) 2024年

作者： Gargi Dhiman Kavita Kumari Bon-Heun Koo Faheem Ahmed Nagih M.Shaalan Saurabh Dalela Parvez A.Alvi Ranjeet Kumar Brajpuriya Shalendra Kumar department of Physics School of Advanced EngineeringUPES Industrial Technology Research Institute Changwon National University Changwon department of Applied sciences and humanities Faculty of Engineering and Technology Jamia Millia Islamia department of Physics College of Science King Faisal University Physics department Faculty of Science Assiut University department of Pure & Applied Physics University of Kota department of Physical science

This study demonstrates a facile and economical approach for fabricating laser-induced graphene（LIG）, which results in improved electrochemical performance. Polyimide polymer was used as a starting material for LIG synthesis and irradiated under ambient conditions using a CO2laser. The prepared LIG samples were characterized by Raman spectroscopy and FTIR, which validated the formation of multilayered graphene containing sp2 hybridized C=C bonds. The FE-SEM revealed three-dimensional sheetlike structures, while HR-TEM images displayed lattice planes with an interplanar spacing of approximately 0.33 nm, corresponding to the（002） plane of graphene. The electrochemical performance of the as-prepared LIG samples demonstrated a remarkable areal specific capacitance（CA） of 51 mF cm-2(170 F g-1) at 1 mA cm-2(3.3 A g-1) in a three-electrode configuration with 1M KOH as the aqueous electrolyte. The LIG electrodes produced an energy density of ～3.5 μWh cm-2and a power density of ～350 μW cm-2,demonstrating significant energy storage capabilities. Additionally, the electrodes exhibited excellent cyclic stability, retaining 87%of their specific capacitance after 3 000 cycles at 1 mA/cm2. The symmetric supercapacitor fabricated with LIG electrodes and the tested 1M KOH electrolyte showed a specific capacitance of 23 mF cm-2and maintained excellent retention after 10,000 cycles,showing LIG's potential for supercapacitor applications.

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A Hybrid SIR-Fuzzy Model for Epidemic Dynamics:A Numerical Study

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Computer Modeling in Engineering & sciences 2024年第6期139卷 3417-3434页

作者： Muhammad Shoaib Arif Kamaleldin Abodayeh Yasir Nawaz department of Mathematics and sciences College of Humanities and SciencesPrince Sultan UniversityRiyadh11586Saudi Arabia department of Mathematics Air UniversityIslamabad44000Pakistan

This study focuses on the urgent requirement for improved accuracy in diseasemodeling by introducing a newcomputational framework called the Hybrid SIR-Fuzzy *** integrating the traditional Susceptible-Infectious-Recovered(SIR)modelwith fuzzy logic,ourmethod effectively addresses the complex nature of epidemic dynamics by accurately accounting for uncertainties and imprecisions in both data and model *** main aim of this research is to provide a model for disease transmission using fuzzy theory,which can successfully address uncertainty in mathematical *** main emphasis is on the imprecise transmission rate parameter,utilizing a three-part description of its membership *** enhances the representation of disease processes with greater complexity and tackles the difficulties related to quantifying uncertainty in mathematical *** investigate equilibrium points for three separate scenarios and perform a comprehensive sensitivity analysis,providing insight into the complex correlation betweenmodel parameters and epidemic *** order to facilitate a quantitative analysis of the fuzzy model,we propose the implementation of a resilient numerical *** convergence study of the scheme demonstrates its trustworthiness,providing a conditionally positive solution,which represents a significant improvement compared to current forward Euler *** numerical findings demonstrate themodel’s effectiveness in accurately representing the dynamics of disease ***,when the mortality coefficient rises,both the susceptible and infected populations decrease,highlighting the model’s sensitivity to important epidemiological ***,there is a direct relationship between higher Holling type rate values and a decrease in the number of individuals who are infected,as well as an increase in the number of susceptible *** correlation offers a significant understanding of how many elements affect the con

关键词： Fuzzy-based model sensitivity equilibriumpoints proposed numerical scheme convergence and stability analysis

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