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Communications in Theoretical Physics 2024年第2期76卷 102-110页

作者： Muhammad Yasir Xia Tiecheng Muhammad Usman Shahid Chaudhary department of Mathematics Shanghai University and Newtouch Center for Mathematics of Shanghai UniversityShanghai200444China department of natural Sciences and Humanities University of Engineering and Technology LahoreNew CampusPakistan

The thermodynamics of black holes(BHs)has had a profound impact on theoretical physics,providing insight into the nature of gravity,the quantum structure of spacetime and the fundamental laws governing the *** this study,we investigate thermal geometries and Hawking evaporation of the recently proposed topological dyonic dilaton BH in anti-de Sitter(Ad S)*** consider Rényi entropy and obtain the relations for pressure,heat capacity and Gibbs free energy and observe that the Rényi parameter and dilaton field play a vital role in the phase transition and stability of the ***,we use Weinhold,Ruppeiner and Hendi Panahiyah Eslam Momennia models to evaluate the scalar curvature of the BH and find out that the divergence points of the scalar curvature coincides with the zero of specific ***,using Stefan–Boltzmann law,we determine that the BH without a dilaton field evaporates far more quickly compared to the dilaton BH in Ad S space.

关键词： topological dyonic dilaton black hole phase transition thermal geometry Hawking evaporation

How interfacial electron-donating defects influence the structure and charge of gold nanoparticles on TiO_(2)support

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Nano Research 2024年第7期17卷 5965-5974页

作者： Guang-Jie Xia Yu Fu Wei Cao Jun Li Yang-Gang Wang department of chemistry and Guangdong Provincial Key Laboratory of Catalysis Southern University of Science and TechnologyShenzhen 518055China School of Physical Sciences Great Bay UniversityDongguan 523000China department of chemistry Tsinghua UniversityBeijing 100084China

The reduction degree of TiO_(2)support is critical to the performances of metal *** many previous theoretical calculations,only the bridge oxygen vacancy(Ov)was considered as the electron-donating defect on reduced rutile TiO_(2)(r-TiO_(2−x))***,titanium adatoms(Tiad.),oxidized titanium islands(***),and acid hydroxyls(ObrH)also exist at the metal/support *** conducting density functional theory(DFT)calculations and ab initio molecular dynamics(AIMD)simulations,we compared r-TiO_(2−x)surfaces with Ov,Tiad.,***,and ObrH sites loaded with Au nanoparticles(NPs).The results showed the Au NPs were oxygen-phobic but titanium-philic,resulting in wetting of Ov and *** short contact with *** and *** Bader charges of Au NPs(QM)showed a good linear relationship with the ideal number of donating electrons(Ne)from the defective sites(QM=−KeNe+QM,S),demonstrating the intrinsic electron allocation at the *** Ov,Tiad.,and *** exhibited similar slopes(Ke),relatively steeper than that of *** means in the scope of Au NP charge state,the *** *** have a close electron-donating ability with Ov,but the ObrH donates relatively fewer *** linear relationship can be extended approximately to other *** higher the metal work function,the steeper the Ke for easier electron donation from defective *** stronger the metal oxygen affinity,the more positive the intercept(QM,S).That explains the easy generation of metallic or negative Pt and Au NPs on r-TiO_(2−x),but hard for Cu and Zn in *** provides theoretical guidance for regulating the charge of metal NPs over TiO_(2−x)supports.

关键词： metal-support interaction titanium oxide oxygen vacancy surface hydroxyl titanium adatom

Synthesis and characterization of iron clusters with an icosahedral [Fe@Fe12]16+ Core

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National Science Review 2024年第4期11卷 123-129页

作者： Gan Xu Yun-Shu Cui Xue-Lian Jiang Cong-Qiao Xu Jun Li Xu-Dong Chen Jiangsu Collaborative Innovation Center of Biomedical Functional Materials and Jiangsu Key Laboratory of New Power Batteries School of Chemistry and Materials Science Nanjing Normal University department of chemistry and Guangdong Provincial Key Laboratory of Catalytic chemistry Southern University of Science and Technology department of chemistry and Engineering Research Center of Advanced Rare-Earth Materials of Ministry of Education Tsinghua University State Key Laboratory of Coordination chemistry Nanjing University

Iron-metal clusters are crucial in a variety of critical biological and material systems,including metalloenzymes,catalysts,and magnetic storage ***,a synthetic high-nuclear iron cluster has been absent due to the extreme difficulty in stabilizing species with direct iron-iron *** this work,we have synthesized,crystallized,and characterized a（Tp*）4W4S12(Fe@Fe12) cluster(Tp*=tris（3,5-dimethyl-1-pyrazolyl）borate（1-）),which features a rare trideca-nuclear,icosahedral[Fe@Fe12] cluster core with direct multicenter iron-iron bonding between the interstitial iron（Fei） and peripheral irons（Fep）,as well as Fep…Fepferromagnetic *** chemistry studies reveal that the stability of the cluster arises from the 18-electron shell-closing of the [Fe@Fe12]16+core,assisted by its bonding interactions with the peripheral tridentate [（Tp*）WS3]4-ligands which possess both S→Fe donation and spin-polarized Fe-Wσ *** ground-state electron spin is theoretically predicted to be S=32/2 for the *** existence of low oxidation-state（OS～+1.23） iron in this compound may find interesting applications in magnetic storage,spintronics,redox chemistry,and cluster catalysis.

关键词： Fe13 cluster iron-sulfur cluster low-valence iron iron−iron bond high spin complex

Recent advances on bismuth oxyhalides for photocatalytic CO_(2)reduction

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Journal of Environmental Sciences 2024年第6期140卷 183-203页

作者： Liangpang Xu Jimmy C.Yu Ying Wang department of chemistry The Chinese University of Hong KongShatinNew TerritoriesHong Kong 999077China

Photocatalytic conversion of CO_(2)into fuels such as CO,CH_(4),and CH_(3)OH,is a promising approach for achieving carbon *** oxyhalides(BiOX,where X=Cl,Br,and I)are appropriate photocatalysts for this purpose due to the merits of visible-light-active,efficient charge separation,and easy-to-modify crystal structure and surface *** practical applications,multiple strategies have been proposed to develop high-efficiency BiOX-based *** review summarizes the development of different approaches to prepare BiOX-based photocatalysts for efficient CO_(2)*** the review,the fundamentals of photocatalytic CO_(2)reduction are ***,several widely used modification methods for BiOX photocatalysts are systematacially discussed,including heterojunction construction,introducing oxygen vacancies(OVs),Bi-enrichment,heteroatom-doping,and morphology ***,the challenges and prospects in the design of future BiOX-based photocatalysis for efficient CO_(2)reduction are examined.

关键词： Bismuth oxyhalides Photocatalysis CO_(2)reduction Modification methods

Interparticle energy transfer between NaNdF_(4) and NaYbF_(4) in self-assembled nanostructures

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Journal of Rare Earths 2024年第6期42卷 1029-1035,I0001页

作者： Xinyu Chen Haoze Yang Yuyang Gu Chenqing Wen Yishuo Sun Jiaming Ke Wei Feng department of chemistry and State Key Laboratory of Molecular Engineering of Polymers Fudan University Shanghai200433China

Forster resonance energy transfer(FRET)is a widely used spectroscopic *** development of donor-acceptor combinations is essential to advance this *** make the energy transfer efficiency independent of the external environment,we explored the potential of constructing donor—acceptor combinations with lanthanide ion-doped nanoparticles(LNPs),in which the 4f electrons of the lanthanide ions are shielded by the 5s and 6p ***-radiative energy transfer between LNPs was demonstrated in self-assembled nanostructures and core-shell structure of LNPs was used to control the distance between donor and acceptor in self-assembled *** emission intensity ratio of donor and acceptor illustrates that the energy transfer efficiency decreases significantly with increasing distance and the effective energy transfer distance is 8.5 nm,showing the potential of using LNPs as donor-acceptor pairs in the construction of distance-dependent energy transfer system.

关键词： Lanthanide nanoparticles Self-assembly Energy transfer Distance Epitaxialgrowth Rare earths

Relational Turkish Text Classification Using Distant Supervised Entities and Relations

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Computers, Materials & Continua 2024年第5期79卷 2209-2228页

作者： Halil Ibrahim Okur Kadir Tohma Ahmet Sertbas department of Computer Engineering Faculty of Engineering and Natural SciencesIskenderun Technical UniversityHatay31200Turkey department of Computer Engineering Faculty of EngineeringIstanbul University-CerrahpasaIstanbul34310Turkey

Text classification,by automatically categorizing texts,is one of the foundational elements of natural language processing *** study investigates how text classification performance can be improved through the integration of entity-relation information obtained from the Wikidata(Wikipedia database)database and BERTbased pre-trained Named Entity Recognition(NER)*** on a significant challenge in the field of natural language processing(NLP),the research evaluates the potential of using entity and relational information to extract deeper meaning from *** adopted methodology encompasses a comprehensive approach that includes text preprocessing,entity detection,and the integration of relational *** conducted on text datasets in both Turkish and English assess the performance of various classification algorithms,such as Support Vector Machine,Logistic Regression,Deep Neural Network,and Convolutional Neural *** results indicate that the integration of entity-relation information can significantly enhance algorithmperformance in text classification tasks and offer new perspectives for information extraction and semantic analysis in NLP *** of this work include the utilization of distant supervised entity-relation information in Turkish text classification,the development of a Turkish relational text classification approach,and the creation of a relational *** demonstrating potential performance improvements through the integration of distant supervised entity-relation information into Turkish text classification,this research aims to support the effectiveness of text-based artificial intelligence(AI)***,it makes significant contributions to the development ofmultilingual text classification systems by adding deeper meaning to text content,thereby providing a valuable addition to current NLP studies and setting an important reference point for future research.

关键词： Text classification relation extraction NER distant supervision deep learning machine learning

Topological defects on solutions of the non-relativistic equation for extended double ring-shaped potential

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Communications in Theoretical Physics 2024年第8期76卷 31-45页

作者： Badredine Boudjedaa Faizuddin Ahmed natural Sciences and Materials Laboratory University Center Abdelhafid Boussouf department of Mathematics Institute of Mathematics and Computer Science University Center Abdelhafid Boussouf department of Physics University of Science & Technology Meghalaya

In this study, we focus into the non-relativistic wave equation described by the Schr?dinger equation, specifically considering angular-dependent potentials within the context of a topological defect background generated by a cosmic string. Our primary goal is to explore quasi-exactly solvable problems by introducing an extended ring-shaped potential. We utilize the Bethe ansatz method to determine the angular solutions, while the radial solutions are obtained using special functions. Our findings demonstrate that the eigenvalue solutions of quantum particles are intricately influenced by the presence of the topological defect of the cosmic string,resulting in significant modifications compared to those in a flat space background. The existence of the topological defect induces alterations in the energy spectra, disrupting ***, we extend our analysis to study the same problem in the presence of a ring-shaped potential against the background of another topological defect geometry known as a point-like global monopole. Following a similar procedure, we obtain the eigenvalue solutions and analyze the results. Remarkably, we observe that the presence of a global monopole leads to a decrease in the energy levels compared to the flat space results. In both cases, we conduct a thorough numerical analysis to validate our findings.

关键词： Bethe ansatz method non-relativistic wave-equation: Schrödinger equation point-like global monopole potential: extended ring-shaped potentials topological defect: cosmic string

Hydrochar and synthetic natural gas co-production for a full circular economy implementation via hydrothermal carbonization and methanation:An economic approach

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Journal of Environmental Sciences 2024年第6期140卷 69-78页

作者： Judith González-Arias Guillermo Torres-Sempere Miriam González-Castaño Francisco MBaena-Moreno Tomás RReina Inorganic chemistry department and Materials Sciences Institute University of Seville-CSICSevilleSpain Materials Sciences Institute(ICMSE) CSIC-University of SevilleSevilleSpain department of chemistry and Chemical Engineering Chalmers University of TechnologyGothenburgSE 41296Sweden

Herein we study the economic performance of hydrochar and synthetic natural gas coproduction from olive tree *** process entails a combination of hydrothermal carbonization and *** a previous work,we evidenced that standalone hydrochar production via HTC results ***,we propose a step forward on the process design by implementing a methanation,adding value to the gas effluent in an attempt to boost the overall process techno-economic *** different plant capacities were analyzed(312.5,625 and 1250 kg/hr).The baseline scenarios showed that,under the current circumstances,our circular economy strategy in *** analysis of the revenues shows that hydrochar selling price have a high impact on NPV and subsidies for renewable coal production could help to boost the profitability of the *** the contrary,the analysis for natural gas prices reveals that prices 8 times higher than the current ones in Spain must be achieved to reach *** seems unlikely even under the presence of a strong subsidy *** costs analysis suggests that a remarkable electricity cost reduction or electricity consumption of the HTC stage could be a potential strategy to reach profitability ***,significant reduction of green hydrogen production costs is deemed instrumental to improve the economic performance of the *** results show the formidable techno-economic challenge that our society faces in the path towards circular economy societies.

关键词： Hydrothermal carbonization CO_(2)waste valorization Methanation Profitability analysis

Cascade reaction of 3-formylchromones:Highly selective synthesis of 4-oxo-3-(1H-pyrrol-3-yl)-4H-chromenes

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Green Synthesis and Catalysis

Green Synthesis and Catalysis 2024年第2期5卷 94-101页

作者： Ying Lv Li Chen Xinghan Yun Kun Li Shengjiao Yan Key Laboratory of Medicinal chemistry for natural Resource(Yunnan University) Ministry of EducationSchool of Chemical Science and TechnologyYunnan UniversityKunming 650091China

A novel method for the preparation of highly functionalized 4-oxo-3-(1H-pyrrol-3-yl)-4H-chromenes(OPCMs)from 3-formylchromones andα-isocyanoacetates via an unprecedented three-component[1+1+3]cycloaddition reaction in one pot was *** three-component cascade reaction was enabled by refluxing a mixture of the substrates in 1,4-dioxane in the presence of Ag_(2)CO_(3) as a Lewis acid *** a result,a series of functionalized pyrroles(OPCMs,3),was prepared regioselectively and in high yields(80%-88%)through the formation of three *** protocol can be used in the synthesis of OPCMs rather than through conventional,multi-step reactions and is suitable for both combinatorial and parallel syntheses of pyrroles.

关键词： 4-Oxo-3-(1H-pyrrol-3-yl)-4H-chromenes Three-component Cascade reaction [1+1+3]cycloaddition 3-Formylchromones

Building Feedback-Regulation System Through Atomic Design for Highly Active SO_(2)Sensing

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Nano-Micro Letters 2024年第7期16卷 343-357页

作者： Xin Jia Panzhe Qiao Xiaowu Wang Muyu Yan Yang Chen Bao-Li An Pengfei Hu Bo Lu Jing Xu Zhenggang Xue Jiaqiang Xu NEST Lab Department of ChemistryCollege of SciencesShanghai UniversityShanghai 200444People’s Republic of China Shanghai Synchrotron Radiation Facility Zhangjiang LabShanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204People’s Republic of China School of chemistry and Materials Science University of Science and Technology of ChinaHefei 230026People’s Republic of China Key Laboratory of Organic compound Pollution Control Engineering(MOE) School of Environmental and Chemical EngineeringShanghai UniversityShanghai 200444People’s Republic of China Shanghai University Instrumental Analysis&Research Center of Shanghai UniversityShanghai 200444People’s Republic of China

Reasonably constructing an atomic interface is pronouncedly essential for surface-related gas-sensing ***,we present an ingen-ious feedback-regulation system by changing the interactional mode between single Pt atoms and adjacent S species for high-efficiency SO_(2)*** found that the single Pt sites on the MoS_(2)surface can induce easier volatiliza-tion of adjacent S species to activate the whole inert S ***,the activated S species can provide a feedback role in tailoring the antibonding-orbital electronic occupancy state of Pt atoms,thus creating a combined system involving S vacancy-assisted single Pt sites(Pt-Vs)to synergistically improve the adsorption ability of SO_(2)gas ***-more,in situ Raman,ex situ X-ray photoelectron spectroscopy testing and density functional theory analysis demonstrate the intact feedback-regulation system can expand the electron transfer path from single Pt sites to whole Pt-MoS_(2)supports in SO_(2)gas *** with wireless-sensing modules,the final Pt1-MoS_(2)-def sensors array can further realize real-time monitoring of SO_(2)levels and cloud-data storage for plant *** a fundamental understanding of the intrinsic link between atomic interface and sensing mechanism is thus expected to broaden the rational design of highly effective gas sensors.

关键词： Feedback-regulation system Atomic interface SO_(2)sensor Single-atom sensing mechanism Intelligent-sensing array