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Ferroelectricity Induced by oxygen Vacancies in Rhombohedral Zro_(2) Thin Films

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Energy & Environmental materials 2024年第1期7卷 229-237页

作者： Veniero Lenzi José P.B.Silva Břetislav Šmíd Vladimir matoín Cosmin m.Istrate Corneliu Ghica Judith L.macmanus-Driscoll Luís marques Physics Center of minho and Porto Universities(CF-Um-UP) University of MinhoCampus de Gualtar 4710-057Braga Portugal Laboratory of Physics for materials and Emergent Technologies LapMETUniversity of Minho4710-057Braga Portugal Department of Surface and Plasma Science Faculty of Mathematics and PhysicsCharles UniversityV Holešovičkách 218000Prague 8 Czech Republic National Institute of materials Physics 105 bis Atomistilor 077125Magurele Romania Department of materials Science and metallurgy 27 Charles Babbage Rd.Cambridge CB3 OFSUK

Rhombohedral phase Hf_(x)Zr_(1.x)o_(2)(HZo,x from 0 to 1)films are promising for achieving robust ferroelectric polarization without the need for an initial wake-up pre-cycling,as is normally the case for the more commonly studied orthorhombic ***,a large spontaneous polarization observed in rhombohedral films is not fully understood,and there are also large discrepancies between experimental and theoretical *** this work,in rhombohedral Zro_(2)thin films,we show that oxygen vacancies are not only a key factor for stabilizing the phase,but they are also a source of ferroelectric polarization in the *** is shown experimentally through the investigation of the structural properties,chemical composition and the ferroelectric properties of the films before and after an annealing at moderate temperature(400℃)in an oxygen environment to reduce the V_(o)concentration *** experimental work is supported by density functional theory(DFT)calculations which show that the rhombohedral phase is the most stable one in highly oxygen defective Zro_(2)*** DFT calculations also show that V_(o)contribute to the ferroelectric *** findings reveal the importance of V_(o)for stabilizing rhombohedral Zro_(2)thin films with superior ferroelectric properties.

关键词： charged defects ferroelectric polarization rhombohedral phase stability zirconia

Liquid crystal immunosensors for the selective detection of Escherichia coli with a fast analysis tool

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Photonics Research 2024年第7期12卷 1564-1573页

作者： SANDRo C.oLIVEIRA mARIA S.SoARES BÁRBARA V.GoNÇALVES ANDREIA C.m.RoDRIGUES AmADEU m.V.m.SoARES RITA G.SoBRAL NUNo F.SANToS JAN NEDomA PEDRo L.ALmEIDA CARLoS marques CICECo-Aveiro Institute of materials Physics DepartmentUniversity of Aveiro3810-193 AveiroPortugal i3N Physics DepartmentUniversity of Aveiro3810-193 AveiroPortugal Associate Laboratory i4HB-Institute for Health and Bioeconomy School of Sciences and TechnologyNOVA University of Lisbon1099-085 LisbonPortugal CESAm-Centre for Environmental and marine Studies and Department of Biology University of Aveiro3810-193 AveiroPortugal Department of Telecommunications VSB-Technical University of OstravaOstrava 70800Czech Republic i3N-CENImAT School of Sciences and TechnologyNOVA University of Lisbon1099-085 LisbonPortugal UnIRE ISELPolytechnic Institute of Lisbon1549-020 LisbonPortugal Department of Physics VSB-Technical University of OstravaOstrava 70800Czech Republic

The consumption of contaminated food may cause serious illnesses,and traditional methods to detect Escherichia coli are still associated with long waiting times and high costs given the necessity to transport samples to specialized *** is a need to develop new technologies that allow cheap,fast,and direct monitoring at the site of ***,in this work,we developed optical immunosensors for the selective detection of ***,based on liquid crystal technology,whose molecules can align in different manners depending on the boundary conditions (such as substrates) as well as the environment that they *** glass substrate was functionalized with *** antibody using cysteamine as an intermediate,and a vertical alignment was imposed on the liquid crystal molecules by using DmoAP during *** presence of bacteria disrupts the alignment of the liquid crystal molecules,changing the intensity of light emerging between cross polarizers,measured using a polarized optical microscope and a *** was possible to detect *** in suspensions in the concentration range from 2.8 cells/mL to 2.8×10^(9) cells∕*** was also evaluated,and the sensors were used to analyze contaminated water samples.A prototype was developed to allow faster,in-situ,and easier analysis avoiding bulky instruments.

关键词： crystal alignment analysis

mixed iridium-nickel oxides supported on antimony-doped tin oxide as highly efficient and stable acidic oxygen evolution catalysts

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materials Futures 2024年第1期3卷 165-180页

作者： Jonathan Ruiz Esquius Alec P LaGrow Haiyan Jin Zhipeng Yu Ana Araujo Rita marques Adélio mendes Lifeng Liu Clean Energy Cluster International Iberian Nanotechnology LaboratoryAv.Mestre JoséVeigaBraga 4715-330Portugal Carbon Science and Technology Institute INCAR-CSICFrancisco Pintado Fe 26Oviedo 33011Spain Scientific Imaging Section Okinawa Institute of Science and Technology Graduate UniversityKunigami-gunOkinawa 904-0412Japan Songshan Lake materials Laboratory Dongguan 523808People’s Republic of China Laboratory for Process Engineering EnvironmentBiotechnology and EnergyFaculty of EngineeringUniversity of PortoRua Dr Roberto FriasPorto 4200-465Portugal Associate Laboratory in Chemical Engineering Faculty of EngineeringUniversity of PortoRua Dr Roberto FriasPorto 4200-465Portugal.

Proton exchange membrane(PEm)water electrolysis represents a promising technology for green hydrogen production,but its widespread deployment is greatly hindered by the indispensable usage of platinum group metal catalysts,especially iridium(Ir)based materials for the energy-demanding oxygen evolution reaction(oER).Herein,we report a new sequential precipitation approach to the synthesis of mixed Ir-nickel(Ni)oxy-hydroxide supported on antimony-doped tin oxide(ATo)nanoparticles(IrNiyo_(x)/ATo,20 wt.%(Ir+Ni),y=0,1,2,and 3),aiming to reduce the utilisation of scarce and precious Ir while maintaining its good acidic oER *** tested in strongly acidic electrolyte(0.1 m HClo_(4)),the optimised IrNi1ox/ATo shows a mass activity of 1.0 mAµgIr^(−1) and a large turnover frequency of 123 s^(−1) at an overpotential of 350 mV,as well as a comparatively small Tafel slope of 50 mV dec^(−1),better than the Irox/ATo control,particularly with a markedly reduced Ir loading of only 19.7µgIr cm^(−2).Importantly,IrNi1o_(x)/ATo also exhibits substantially better catalytic stability than other reference catalysts,able to continuously catalyse acidic oER at 10 mA cm^(−2) for 15 h without obvious *** in-situ synchrotron-based x-ray absorption spectroscopy confirmed that the Ir^(3+)/Ir^(4+)species are the active sites for the acidic ***,the performance of IrNi1ox/ATo was also preliminarily evaluated in a membrane electrode assembly,which shows better activity and stability than other reference *** IrNi1ox/ATo reported in this work is a promising alternative to commercial Iro_(2) based catalysts for PEm electrolysis.

关键词： mixed oxides oxygen evolution reaction polymer electrolyte membrane antimony doped tin oxide membrane electrode assembly

Vertical stratification of bat assemblages in flooded and unflooded Amazonian forests

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Current Zoology 2010年第4期56卷 469-478页

作者： maria Joo Ramos PEREIRA Joo Tiago marques Jorge m.PALmEIRIm Centro de Biologia Ambiental Departamento de Biologia Animal Faculdade de Ciências da Universidade de Lisboa Instituto de Desenvolvimento Sustentvel mamirau

Tropical rainforests usually have multiple strata that results in a vertical stratification of ecological opportunities foranimals. We investigated if this stratification influences the way bats use the vertical space in flooded and unflooded forests of theCentral Amazon. Using mist-nets set in the canopy (17 to 35 m high) and in the understorey (0 to 3 m high) we sampled four sitesin upland unflooded forests (terra firme), three in forests seasonally flooded by nutrient-rich water (varzea), and three in forestsseasonally flooded by nutrient-poor water (igapo). Using rarefaction curves we found that species richness in the understorey andcanopy were very similar. An ordination analysis clearly separated the bat assemblages of the canopy from those of the understorey inboth flooded and unflooded habitats. Gleaning carnivores were clearly associated with the understorey, whereas frugivores wereabundant in both strata. of the frugivores, Carollinae and some Stenodermatinae were understorey specialists, but several Stenodermatinaemostly used the canopy. The first group mainly includes species that, in general, feed on fruits of understorey shrubs,whereas the second group feed on figs and other canopy fruits. We conclude that vertical stratification in bat communities occurseven within forests with lower canopy heights, such as Amazonian seasonally flooded forests, and that the vertical distribution ofbat species is closely related to their diet and foraging behaviour.

关键词： Amazon Bats Chiroptera Vertical stratification Floodplain

Recent advances and applications of machine learning in solidstate materials science

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npj Computational materials 2019年第1期5卷 394-429页

作者： Jonathan Schmidt mário R.G.marques Silvana Botti miguel A.L.marques Institut für Physik Martin-Luther-Universität06120 Halle-WittenbergHalle(Saale)Germany Institut für Festkörpertheorie und-optik Friedrich-Schiller-Universität JenaMax-Wien-Platz 107743 JenaGermany

one of the most exciting tools that have entered the material science toolbox in recent years is machine *** collection of statistical methods has already proved to be capable of considerably speeding up both fundamental and applied *** present,we are witnessing an explosion of works that develop and apply machine learning to solid-state *** provide a comprehensive overview and analysis of the most recent research in this *** a starting point,we introduce machine learning principles,algorithms,descriptors,and databases in materials *** continue with the description of different machine learning approaches for the discovery of stable materials and the prediction of their crystal *** we discuss research in numerous quantitative structure–property relationships and various approaches for the replacement of first-principle methods by machine *** review how active learning and surrogate-based optimization can be applied to improve the rational design process and related examples of *** major questions are always the interpretability of and the physical understanding gained from machine learning *** consider therefore the different facets of interpretability and their importance in materials ***,we propose solutions and future research paths for various challenges in computational materials science.

关键词： learning gained starting

Genoprotection and metabolic benefits of marine macroalgae-Insights into the concept of functional foods through direct and indirect consumption

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Food Bioscience 2022年第3期47卷 524-533页

作者： Ana marques João Ferreira Ana Cerqueda-Pacheco Vitória Pereira Helena Abreu Rui Pereira maria João Pires Fernanda Seixas Paula oliveira Isabel Gaivão mário Pacheco Laboratory of Physiotoxicology CESAM-Centre for Environmental and Marine StudiesDepartment of BiologyUniversity of AveiroCampus Universitário de Santiago3810-193AveiroPortugal CECAV-Animal and Veterinary Research Center AL4AnimalsUniversity of Trás-os-Montes and Alto DouroQuinta de Prados5000-801Vila RealPortugal Department of Genetics and Biotechnology University of Trás-os-Montes and Alto DouroQuinta de Prados5000-801Vila RealPortugal Department of Biology and Environment University of Trás-os-Montes and Alto DouroQuinta de Prados5000-801Vila RealPortugal CITAB-Centre for the Research and Technology of Agro-Environmental and Biological Sciences Inov4AgroUniversity of Trás-os-Montes and Alto DouroQuinta de Prados5000-801Vila RealPortugal Department of Veterinary Sciences University of Trás-os-Montes and Alto DouroQuinta de Prados5000-801Vila RealPortugal ALGAplus Lda.Travessa Alexandre da Conceição s/n3830-196ÍlhavoPortugal

The consumption of marine macroalgae has been linked with health benefits,albeit some actions,including genoprotection,remain ***,we evaluated the genoprotective potential of a mixture of Ulva rigida,Fucus vesiculosus and Gracilaria gracilis,through direct consumption or via indirect intake using fish(Sparus aurata)as a vector of algal ***(mus musculus)were subjected to a 1-month dietary supplementation with 5%of macroalgae mix or 10%of fillet of fish previously fed with an algae-supplemented aquafeed(for comparison purposes,10%supplementation with fillet of fish standardly fed was also considered).Thereafter,mice were challenged by the genotoxicant methyl methanesulfonate(mmS),and the genetic damage was evaluated through the micronuclei ***,a wider evaluation was carried out encompassing the assessment of energy metabolism,haematological and histological parameters,as well as growth *** unequivocally protected against mmS-induced *** activity profile of hepatic lactate and isocitrate dehydrogenases promoted by the supplemented diets reflected an improved energy *** properties were not transferred via fish fed with the algae-supplemented aquafeed,though the transference of phytocomponents with beneficial properties(*** balance improvement)should not be ***,these findings highlighted the genoprotection afforded by marine macroalgae,likely promoted by desmutagenic factors,reinforcing their definition as functional *** possibility of using fish as an indirect source of algae-borne phytocomponents proved to be plausible and worthy of further investigations.

关键词： Antigenotoxicity Desmutagens Fish consumption Functional food marine macroalgae consumption metabolic benefits

Fiber Cavity Ring-Down Using an optical Time-Domain Reflectometer

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Photonic Sensors 2014年第4期4卷 295-299页

作者： D. J. PASSoS S. o. SILVA J. R. A. FERNANDES m. B. marques o. FRAZAo INESC Porto Rua do Campo Alegre 687 4169-007 Porto Portugal and Dept. de Fisica e Astronomia da Faculdade deCiOncias da Universidade do Porto Rua do Campo Alegre 687 4169-007 Porto Portugal Departamento de Fisica Escola de Ci~ncias e Tecnologia Universidade de Tr6s-os-Montes e Alto Douro Quinta dePrados 5001-801 Vila Real Portugal

This work presented a demonstration of the potential for a fiber based cavity ring-down （CRD） using an optical time-domain reflectometer （oTDR）. The oTDR was used to send the impulses down into about 20km of a standard single optical fiber, at the end of which the fiber cavity ring-down was placed. The oTDR measured no appreciable losses, so other CRDs multiplexed could be spliced in parallel along the same optical fiber. To demonstrate the behavior and sensitivity of the proposed configuration, a displacement sensor based on a fiber taper with a diameter of 50 μm was placed inside the fiber loop, and the induced losses were measured on the CRD signal -- a sensitivity of 11.8 ＋ 0.5 μs/mm was achieved. The dynamic range of the sensing head used in this configuration was about 2 mm. Finally, this work was also compared with different works published in the literature.

关键词： optical fiber sensors cavity ring-down oTDR

Predicting stable crystalline compounds using chemical similarity

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npj Computational materials 2021年第1期7卷 99-107页

作者： Hai-Chen Wang Silvana Botti miguel A.L.marques Institut für Physik Martin-Luther-Universität Halle-Wittenberg06120 Halle(Saale)Germany Institut für Festkörpertheorie und-optik Friedrich-Schiller-Universität Jena and European Theoretical Spectroscopy FacilityMax-Wien-Platz 107743 JenaGermany

We propose an efficient high-throughput scheme for the discovery of stable crystalline *** approach is based on the transmutation of known compounds,through the substitution of atoms in the crystal structure with chemically similar *** concept of similarity is defined quantitatively using a measure of chemical replaceability,extracted by data-mining experimental *** this way we build 189,981 possible crystal phases,including 18,479 that are on the convex hull of *** resulting success rate of 9.72%is at least one order of magnitude better than the usual success rate of systematic high-throughput calculations for a specific family of materials,and comparable with speed-up factors of machine learning filtering *** a characterization of the set of 18,479 stable compounds,we calculate their electronic band gaps,magnetic moments,and *** approach,that can be used as a filter on top of any high-throughput scheme,enables us to efficiently extract stable compounds from tremendously large initial sets,without any initial assumption on their crystal structures or chemical compositions.

关键词： stability similarity crystalline

Application of data science in the prediction of solar energy for the Amazon basin:a study case

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Clean Energy 2023年第6期7卷 1344-1355页

作者： AndréLuis Ferreira marques márcio JoséTeixeira Felipe Valencia de Almeida Pedro Luiz Pizzigatti Corrêa Polytechnic School of the University of Sao Paulo Av.Prof.Luciano Gualberto380-ButantaSao Paulo-SP05508-010Brazil Institute of Physics of the University of Sao Paulo Brazil

The need for renewable energy sources has challenged most countries to comply with environmental protection actions and to handle climate *** energy figures as a natural option,despite its *** has a green energy matrix with significant expansion of solar form in recent *** preserve the Amazon basin,the use of solar energy can help communities and cities improve their living standards without new hydroelectric units or even to burn biomass,avoiding harsh environmental *** novelty of this work is using data science with machine-learning tools to predict the solar incidence(W.h/m^(2))in four cities in Amazonas state(north-west Brazil),using data from NASA satellites within the period of ***-tree-based models and vector autoregressive(time-series)models were used with three time aggregations:day,week and *** predictor model can aid in the economic assessment of solar energy in the Amazon basin and the use of satellite data was encouraged by the lack of data from ground *** mean absolute error was selected as the output indicator,with the lowest values obtained close to 0.20,from the adaptive boosting and light gradient boosting algorithms,in the same order of magnitude of similar references.

关键词： solar energy renewable energy Amazon basin machine learning time series data science decision-trees ensemble vector autoregression