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Smart tailoring of molecular catalysts:mounting approach to oxygen reduction reaction

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Journal of materials Science & Technology 2024年第1期168卷 169-184页

作者： Anuj kumar mohd Ubaidullah Guoxin Zhang Jasvinder kaur Saira Ajmal mudassir Hasan krishna kumar yadav Hafiz m.Adeel Sharif Ram k.Gupta Ghulam Yasin Nano-Technology Research Laboratory Department of ChemistryGLA UniversityMathuraUttar Pradesh 281406India Department of Chemistry College of ScienceKing Saud UniversityRiyadh 11451Saudi Arabia Department of Electrical Engineering and Automation Shandong University of Science and TechnologyQingdaoShandong 266590China Institute for Advanced Study Shenzhen UniversityShenzhenGuangdong 518060China Department of Chemistry Kansas Polymer Research CenterPittsburg State UniversityPittsburgKS 66762United States Faculty of Science and Technology Madhyanchal Professional UniversityRatibadBhopal 462044India Environmental and Atmospheric Sciences Research Group Scientific Research CenterAl-Ayen UniversityThi-QarNasiriyah 64001Iraq Department of Chemical Engineering king khalid University Saudi Arabia Department of Chemistry School of SciencesIFTM UniversityMoradabadUttar Pradesh 244102India Research Center for Eco-Environmental Engineering Dongguan University of TechnologyDongguan 523808China School of Environment and Civil Engineering Dongguan University of TechnologyDongguanGuangdong 523808China

Efficient electrocatalytic rupture of energy-rich molecules(H_(2)and O_(2))is a green approach for gener-ating clean energy for modern *** this context,porphyry-type molecular electrocatalysts act intelligently toward oxygen reduction reaction(ORR),a fundamental process in fuel cells,due to their redox-rich chemistry,which involves core metal ions and macrocyclic *** concerned scientific community has tried many times to correlate the ORR intermediates with their formation kinetics and simplify the associated multi H+/e-stages during the ORR process,constructing several volcano plots be-tween catalytic Tafel data,turnover frequencies,and overpotentials for many *** the fact that many review articles on molecular electrocatalysts for ORR have been published,understanding the strategic implications and molecular catalyst intelligence towards homogenous ORR has been poorly *** review examined the relationships between volcano plots of current *** parameters and the Sabatier principle in order to explain the intelligence of molecular electrocatalysts and approaches for their creation,as well as the difficulties and potential prospects of molecular *** facts distinguish this review from previously published articles and will pique the scien-tific community’s interest in avoiding trial-and-error procedures for catalyst creation while also allowing for more exact evaluations of the molecular catalyst’s performance.

关键词： Electrocatalysis molecular catalysts Oxygen reduction reaction Sabatier principle

Gas hydrate saturation from NGHP 02 LWD data in the mahanadi Basin

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Energy Geoscience

Energy Geoscience 2024年第2期5卷 279-289页

作者： Uma Shankar Pradeep kumar yadav Sneha Devi Udham Singh yadav Department of Geophysics Institute of ScienceBHUVaranasi221005India Oil and Natural Gas Corporation Ltd. Gas Hydrate Research&Technology Centre(GHRTC)Panvel410221Navi MumbaiIndia

During the Indian National Gas Hydrate Program(NGHP)Expedition 02,Logging-while-drilling(LWD)logs were acquired at three sites(NGHP-02-11,NGHP-02-12,and NGHP-02-13)across the mahanadi Basin in area *** applied rock physics theory to available sonic velocity logs to know the distribution of gas hydrate at site NGHP-02-11 and *** physics modeling using sonic velocity at well location shows that gas hydrate is distributed mainly within the depth intervals of 150-265 m and 100 -215 mbsf at site NGHP-02-11 and NGHP-02-13,respectively,with an average saturation of about 4%of the pore space and the maximum concentration of about 40%of the pore space at 250 m depth at site NGHP-02-11,and at site NGHP-02-13 an average saturation of about 2%of the pore space and the maximum concentration of about 20%of the pore space at 246 m depth,as gas hydrate is distributed mainly within 100-246 mbsf at this *** of gas hydrate estimated from the electrical resistivity method using density derived porosity and electrical resistivity logs from Archie's empirical formula shows high saturation compared to that from the sonic ***,estimates of hydrate saturation based on sonic P-wave velocity may differ significantly from that based on resistivity,because gas and hydrate have higher resistivity than conductive pore fluid and sonic P-wave velocity shows strong effect on gas hydrate as a small amount of gas reduces the velocity significantly while increasing velocity due to the presence of *** site NGHP-02-11,gas hydrate saturation is in the range of 15%e30%,in two zones between 150-180 and 245-265 *** NGHP-02-012 shows a gas hydrate saturation of 20%e30%in the zone between 100 and 207 *** NGHP-02-13 shows a gas hydrate saturation up to 30%in the zone between 215 and 246 *** observations from rock physics modeling and Archie’s approximation show the gas hydrate concentrations are relatively low(<4%of the pore space)at the sites of the

关键词： mahanadi Basin Gas hydrate Sonic log Effective medium modeling Electrical resistivity log Archie’s analysis Gas hydrate saturation

Application of Response Surface methodology for Analysing and Optimizing the Finned Solar Air Heater

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Journal of Thermal Science 2024年第3期33卷 985-1009页

作者： Vineet SINGH Vinod Singh yadav Vaibhav TRIVEDI manoj kUmAR Niraj kUmAR Department of mechanical Engineering School of Engineering&TechnologyIFTM UniversityMoradabadUttar PradeshIndia Department of mechanical Engineering NITUttarakhandPauriUttarakhandIndia Department of Electronics and Communication Engineering Jaypee Institute of Information TechnologyNoidaUttar Pradesh201309India

In this research paper,a solar air heater with triangular fins has been experimentally analysed and ***,an experimental set-up of a solar air heater having triangular fins has been developed at the location of 28.10°N,78.23°*** heat transfer rate through fins and fins efficiency has been determined by the Finite Difference method model *** experimental data and modeled data of response parameters have been optimized in mINITAB-17 software by the Response Surface methodology *** creating the response surface design,three input parameters have been selected namely solar intensity,Reynolds number,and fin base-to-height *** range of solar intensity,Reynolds number,and fin base-to-height ratio is 600 to 1000W/m^(2),4000 to 6000,and 0.4 to 0.8 *** response surface design has been analyzed by calculating the outlet temperature,friction factor,Nusselt number,fin efficiency,thermal performance factor,and exergy *** optimum settings of input parameters:solar intensity is 1000 W/m^(2);Reynolds number is 4969.7,and the fin base to height ratio is 0.6060,on which these response:namely outlet temperature of 92.531℃,friction factor of 0.2350,Nusselt number of 127.761,thermal efficiency of 50.836%,thermal performance factor of 1.4947,and exergy efficiency of 8.762%.

关键词： solar air heater optimization fins exergy response surface methodology air

Crystal structure and luminescence dynamics of highly pure Lim(PO_(3))_(3):Eu^(3+)(m=Sr,Ca) red phosphors for white light emitting diodes

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Journal of Rare Earths 2024年第8期42卷 1470-1478,I0002页

作者： Payal khajuria m.manhas A.k.Bedyal Ankush Vij H.C.Swart Vinay kumar Department of Physics and Astronomical Sciences Central University of JammuRahy-Suchani.Samba1143J&KIndia Department of Physics School of SciencesCluster University of JammuCanal RoadJammu180001India Department of Physics University of Petroleum and Energy StudiesDehradunUttarakhand248007India Department of Physics University of the Free StatePO.Box 339BloemfonteinZA 9300South Africa

Highly pure red phosphors Lim(PO_(3))_(3):Eu^(3+)(m=Sr,Ca) doped with Eu^(3+)(1 mol%) were synthesized via solution combustion method and their crystal structure and luminescence dynamics were studied to explore its suitability in white light emitting *** Rietveld refinement analysis of the powder Xray diffraction patterns reveals that the phosphors belong to the pure triclinic phase of LiSr(PO_(3))_(3) and LiCa(PO_(3)) with space group P-1(2).The scanning electron microscopy images showed the agglomerated *** photoluminescence emission spectra under 393 nm show an orange band at 594 nm and a red band at 613 nm ascribed to ^(5)D_(0)→^(7)F_(1).^(5)D_(0)→^(7)F_(2) transitions of Eu^(3+)ion in both the ***,the spectroscopic properties such as luminescence behaviour,and Stark splitting were used to examine the symmetry of Eu^(3+)ions in Lim(PO_(3))_(3):Es^(3+)(m=Sr,Ca) phosphors in terms of distortion induced upon *** Stark splitting shows that the actual site symmetry for Eu^(3+)ion was estimated to be D_(2) type for both *** photometric properties of LiCa(PO_(3))_(3):Eu^(3+)such as Commission International de l'Eclairage coordinates(x=0.64,y=0.36) near to the standard one(red),high color purity(95%) and higher brightness reveal that the phosphor has the capability of acting as a red component in n-UV white light emitting diodes.

关键词： Photoluminescence Phosphate WLEDs Stark splitting Rare earths

Graphene derivatives as efficient hole transport materials for lead-free double perovskite(CsSnI) solar cells: a numerical study

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Optoelectronics Letters 2024年

作者： SARITA yadav SARAL k GUPTA C.m.S.NEGI Department of Physical Science Banasthali Vidyapith

The double perovskite Cs2SnI6has notable optical and electrical characteristics， rendering it a highly prospective candidate for deployment as the absorber layer in perovskite solar cells (PSCs). We simulated the performance of PSCs using lead-free Cs2SnI6double perovskite absorber layer and graphene derivatives， namely graphene oxide (GO) and reduced graphene oxide (rGO)， as hole transport layers (HTLs). Our findings show that rGO offers an excellent hole extraction property with minimal interfacial recombination compared to GO. PSC utilizing rGO as the HTL material achieved a power conversion efficiency of 19.07%， while those employing GO HTL attained only 16.9%. The superior performance of rGO is attributed to its greater charge carrier mobility of rGO and its favorable energy level alignment with the double perovskite absorber layer. In contrast， the mismatch in the charge transport properties between the absorber layer and the GO HTL resulted in poor performance. Our study showcases the potential of using graphene derivative-based HTLs for realizing lead-free PSCs.

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Planetary Homeostasis of Reactive Nitrogen Through Anaerobic Ammonium Oxidation

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Engineering 2024年第7期38卷 175-183页

作者： Guibing Zhu Bangrui Lan Shuci Liu Cameron m.Callbeck Shanyun Wang Liping Jiang Asheesh kumar yadav Jan Vymazal mike S.m.Jetten Ganlin Zhang Yongguan Zhu Research Center for Eco-Environmental Sciences Chinese Academy of SciencesBeijing 100085China Department of Environment and Science Queensland GovernmentBrisbaneQLD 4102Australia Department of Environmental Sciences University of BaselBasel 4056Switzerland CSIR-Institute of minerals and materials Technology Bhubaneswar 751013India Faculty of Environmental Sciences Czech University of Life Sciences PraguePraha 16521Czech Republic Department of microbiology Radboud UniversityNijmegen 6525 XZThe Netherlands key Laboratory of Watershed Geographic Sciences Nanjing Institute of Geography and LimnologyChinese Academy of SciencesNanjing 210008China State key Laboratory of Soil and Sustainable Agriculture Institute of Soil ScienceChinese Academy of SciencesNanjing 210008China University of Chinese Academy of Sciences Beijing 100049China

The availability of nitrogen(N)is crucial for both the productivity of terrestrial and aquatic ecosystems ***,the overuse of artificial fertilizers and the energy required to fix nitrogen have pushed the global nitrogen cycle(N-cycle)past its safe operating limits,leading to severe nitrogen pollution and the production of significant amounts of greenhouse gas nitrous oxide(N2O).The anaerobic ammonium oxidation(anammox)mechanism can counteract the release of ammonium and N2O in many oxygenlimited situations,assisting in the restoration of the homeostasis of the Earth’s N *** this work,we looked into the characteristics of the anammox hotspots’distribution across various types of ecosystems *** hotspots are present at diverse oxic-anoxic interfaces in terrestrial systems,and they are most prevalent at the oxic-anoxic transition zone in aquatic *** on the discovery of an anammox hotspot capable of oxidizing ammonium anoxically into N2 without N2O by-product,we then designed an innovative concept and technical routes of nature-based anammox hotspot geoengineering for climate change,biodiversity loss,and efficient utilization of water *** 15 years of actual use,anammox hotspot geoengineering has proven to be effective in ensuring clean drinking water,regulating the climate,fostering plant and animal diversity,and enhancing longterm environmental *** sustainable biogeoengineering of anammox could be a workable natural remedy to resolve the conflicts between environmental pollution and food security connected to N management.

关键词： Biogeochemical N-cycle Oxic-anoxic interface Nature-based solution Biogeoengineering Nitrogen sustainable development

Enhanced quantum resources via two distant atom-cavity systems under the influence of atomic dissipation

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Communications in Theoretical Physics 2024年第2期76卷 62-73页

作者： m Setodeh kheirabady m k Tavassoly m Rafeie E Ghasemian Laser and Optics Group Faculty of PhysicsYazd UniversityYazd 89195-741Iran Department of Electrical Engineering Faculty of Intelligent Systems Engineering and Data SciencePersian Gulf UniversityBushehrIran

Quantum resources such as entanglement and coherence are the holy grail for modern quantum technologies. Although the unwanted environmental effects tackle quantum information processing tasks, suprisingly these key quantum resources may be protected and even enhanced by the implementation of some special hybrid open quantum systems. Here, we aim to show how a dissipative atom-cavity-system can be accomplished to generate enhanced quantum *** do so, we consider a couple of dissipative cavities, where each one contains two effective two-level atoms interacting with a single-mode cavity field. In practical applications, a classical laser field may be applied to drive each atomic subsystem. After driving the system, a Bell-state measurement is performed on the output of the system to quantify the entanglement and coherence. The obtained results reveal that the remote entanglement and coherence between the atoms existing inside the two distant cavities are not only enhanced, but can be stabilized, even under the action of dissipation. In contrast, the local entanglement between two atoms inside each dissipative cavity attenuates due to the presence of unwanted environmental ***, the local coherence may show the same behavior as the remote ***, the system provides the steady state entanglement in various interaction regimes,particularly in the strong atom-cavity coupling and with relatively large detuning. more interestingly, our numerical analyses demonstrate that the system may show a memory effect due to the fact that the death and revival of the entanglement take place during the interaction. Our proposed model may find potential applications for the implementation of long distance quantum networks. In particular, it facilitates the distribution of quantum resources between the nodes of large-scale quantum networks for secure communication.

关键词： remote entanglement and coherence atomic dissipation steady state entanglement Bell-statemeasurement

Explainable Artificial Intelligence(XAI)model for Cancer Image Classification

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Computer modeling in Engineering & Sciences 2024年第10期141卷 401-441页

作者： Amit Singhal krishna kant Agrawal Angeles Quezada Adrian Rodriguez Aguiñaga Samantha Jiménez Satya Prakash yadav Department of Computer Science&Engineering Raj Kumar Goel Institute of TechnologyGhaziabad201017India Department of School of Computing Science and Engineering Galgotias UniversityGreater Noida203201India Tecnológico Nacional de méxico Campus Tijuana Baja California22414México Universidad Autónoma de Baja California TijuanaBaja California22414México Department of Computer Science and Engineering G.LBajaj Institute of Technology and Management(GLBITM)Affiliated to Dr.A.P.J.Abdul Kalam Technical UniversityLucknow201306India School of Computer Science Engineering and Technology(SCSET) Bennett UniversityGreater Noida201310India

The use of Explainable Artificial Intelligence(XAI)models becomes increasingly important for making decisions in smart healthcare *** is to make sure that decisions are based on trustworthy algorithms and that healthcare workers understand the decisions made by these *** models can potentially enhance interpretability and explainability in decision-making processes that rely on artificial ***,the intricate nature of the healthcare field necessitates the utilization of sophisticated models to classify cancer *** research presents an advanced investigation of XAI models to classify cancer *** describes the different levels of explainability and interpretability associated with XAI models and the challenges faced in deploying them in healthcare *** addition,this study proposes a novel framework for cancer image classification that incorporates XAI models with deep learning and advanced medical imaging *** proposed model integrates several techniques,including end-to-end explainable evaluation,rule-based explanation,and useradaptive *** proposed XAI reaches 97.72%accuracy,90.72%precision,93.72%recall,96.72%F1-score,9.55%FDR,9.66%FOR,and 91.18%*** will discuss the potential applications of the proposed XAI models in the smart healthcare *** will help ensure trust and accountability in AI-based decisions,which is essential for achieving a safe and reliable smart healthcare environment.

关键词： Explainable artificial intelligence artificial intelligence XAI healthcare cancer image classification

Influence of erbium on structural,and charged particles,photons,and neutrons shielding properties of Ba_(1-x)Er_(x)SnO_(3) perovskite ceramics

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Journal of Rare Earths 2024年第4期42卷 724-732页

作者： m.k.h.Hamad Nidal Dwaikat m.H.A.mhareb m.I.Sayyed R.m.Hamad Y.S.m.Alajerami m.A.Almessiere Gameel Saleh Ahmad Hussein Alomari k.A.Ziq Department of Basic Sciences School of Social and Basics SciencesAl Hussein Technical UniversityKing Abdullah II St 242Amman11831Jordan Department of Physics College of Engineering and PhysicsInterdisciplinary Research Center for Advanced MaterialsKing Fahd University of Petroleum&MineralsDhahran31261Saudi Arabia Department of Physics College of ScienceImam Abdulrahman Bin Faisal UniversityP.O.Box 1982Dammam31441Saudi Arabia Basic and Applied Scientific Research Center Imam Abdulrahman Bin Faisal UniversityP0.Box 1982Dammam31441Saudi Arabia Department of Physics Faculty of ScienceIsra UniversityAmman11622Jordan Department of Nuclear medicine Research Institute for Research and Medical Consultations(IRMC)Imam Abdulrahman Bin Faisal UniversityPo.Box 1982Dammam31441Saudi Arabia medical Imaging Department Applied Medical Sciences FacultyAl Azhar University-Gaza CityPo.Box 1277Palestine Department of Biophysics Institute for Research and Medical Consultations(IRMC)Imam Abdulrahman Bin Faisal UniversityPo.Box1982Dammam 31441Saudi Arabia Department of Biomedical Engineering College of EngineeringImam Abdulrahman Bin Faisal UniversityPo.Box 1982Dammam31441Saudi Energy&minerals Regulatory Commission Amman11821Jordan

Five perovskite ceramics samples of Ba_(1-x)Er_(x)SnO_(3) with x=0.00,0.05,0.10,0.15,and 0.20 were synthesized using the conventional solid-state reaction *** prepared samples were characterized by X-ray diffraction(XRD),Fourier transforms infrared(FTIR),and UV-Vis *** shielding properties against ionizing radiation were also *** XRD analysis shows the perovskite cubic structure as the major phase in all *** FTIR reveals a distinctive band around 614-620 cm^(-1) ascribed to the antisymmetric O-Sn-O ***-Vis spectroscopy was used to determine the bandgap according to diffuse reflectance,and the results display a fixed enhancement in the bandgap from 3.2 to 3.3 eV for all ***-ray shielding properties of the synthesized samples were experimentally measured and compared with XCOm computational *** relative differences(Δ,%)between experimental and theo retical values are low and fall within the 0.446%-7.10%*** addition of Er leads to the enhanced density,neutron,and gamma shielding *** contrast,charged particles’shielding parameters gradually reduce with rising Er *** results suggest that Ba_(1-x)Er_(x)SnO_(3) samples can be used in different radiation shielding applications.

关键词： Perovskite Ceramics Gamma ray shielding mass stopping power Rare earths