检索结果-南通市图书馆

materials databases for the computational materials scientist

在线全文

学校读者我要写书评

暂无评论

International Journal of Minerals,Metallurgy and materials 2011年第3期18卷 303-308页

作者： Marcel H.f. Sluiter Darko Simonovic Emre S. Tasci materials Science and Engineering 3ME Delft University of Technology materials innovation institute M2i física de la materia condensada Universidad del Pais Vasco

Until recently, many computational materials scientists have shown little interest in materials databases. This is now changing be-cause the amount of computational data is rapidly increasing and the potential for data mining provides unique opportunities for discovery and optimization. Here, a few examples of such opportunities are discussed relating to structural analysis and classification, discovery of correlations between materials properties, and discovery of unsuspected compounds.

关键词： database systems materials data mining ab initio prediction structural analysis

The effect of rippling on the mechanical properties of graphene

在线全文

学校读者我要写书评

暂无评论

Nano materials Science 2022年第1期4卷 18-26页

作者： Guillermo Lopez-Polin Cristina Gomez-Navarro Julio Gomez-Herrero Instituto de Ciencia de materiales de Madrid CSICMadrid E 28049Spain departamento de física de la materia condensada Universidad Autónoma de MadridMadridE-28049Spain IfIMAC Condensed Matter Physics Center(IfIMAC).Universidad Autónoma de Madrid MadridE-28049Spain

Graphene is the stiffest material known so far but, due to its one-atom thickness, it is also very ***, free-standing graphene exhibit ripples that has major effects on its elastic properties. Here we will summarize three experiments where the influence of rippling is essential to address the results. firstly, we observed that atomic vacancies lessen the negative thermal expansion coefficient(TEC) of free-standing *** also observed an increase of the Young's modulus with global applied strain and with the introduction of small density defects that we attributed to the decrease of rippling. Here, we will focus on a surprising feature observed in the data: the experiments consistently indicate that only the rippling with wavelengths between 5 and 10 nm influences the mechanics of graphene. The rippling responsible of the negative TEC and anomalous elasticity is thought to be dynamic, i.e. flexural phonons. However, flexural phonons with these wavelengths should have minor effects on the mechanics of graphene, therefore other mechanisms must be considered to address our observations. We propose static ripples as one of the key elements to correctly understand the thermomechanics of graphene and suggest that rippling arises naturally due to a competition of symmetry breaking and anharmonic fluctuations.

关键词： Graphene Mechanical properties Atomic force microscopy defects Ripples Stmain

Intermittent chaos for ergodic light trapping in a photonic fiber plate

在线全文

学校读者我要写书评

暂无评论

Light(Science & Applications) 2016年第1期5卷 209-215页

作者： Marina Mariano Gregory Kozyreff Luis G Gerling Pablo Romero-Gomez Joaquim Puigdollers Jorge Bravo-Abad Jordi Martorell ICfO-Institut de Ciencies fotoniques The Barcelona Institute of Science and TechnologyCastelldefels(Barcelona)08860Spain Département de Physique UniversitéLibre de Bruxelles(ULB)Campus de la PlaineBruxelles B-1050Belgium departament Enginyeria Electrònica Universitat Politècnica de CatalunyaBarcelona 08034Spain departamento de física Teórica de la materia condensada and Condensed Matter Physics Center(IfIMAC) Universidad Autónoma de MadridMadrid 28049Spain departament de física Universitat Politècnica de CatalunyaTerrassa 08222Spain

Extracting the light trapped in a waveguide,or the opposite effect of trapping light in a thin region and guiding it perpendicular to its incident propagation direction,is essential for optimal energetic performance in illumination,display or light harvesting *** we demonstrate that the paradoxical goal of letting as much light in or out while maintaining the wave effectively trapped can be achieved with a periodic array of interpenetrated fibers forming a photonic fiber *** entering perpendicular to that plate may be trapped in an intermittent chaotic trajectory,leading to an optically ergodic *** fabricated such a photonic fiber plate and showed that for a solar cell incorporated on one of the plate surfaces,light absorption is greatly *** this,we found the unexpected result that a more chaotic photon trajectory reduces the production of photon scattering entropy.

关键词： chaos ergodicity fiber light-guiding plate light harvesting light trapping

There is life after coking for Ir nanocatalyst superlattices

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Nano Research 2022年第8期15卷 6969-6976页

作者： Antonio J.Martínez-Galera Haojie Guo Mariano D.Jiménez-Sánchez Stefano franchi Kevin C.Prince José M.Gómez-Rodríguez departamento de física de la materia condensada Universidad Autónoma de MadridMadrid E-28049Spain Instituto Nicolás Cabrera Universidad Autónoma de MadridMadrid E-28049Spain Elettra-Sincrotrone Trieste S.C.p.A. in Area Science ParkBasovizza(Trieste)34149Italy Condensed Matter Physics Center(IfIMAC) Universidad Autónoma de MadridMadrid E-28049Spain

Achieving superior performance of nanoparticle systems is one of the biggest challenges in *** major phenomena,occurring during the reactions,hinder the development of the full potential of nanoparticle catalysts:sintering and contamination with carbon containing species,sometimes called ***,we demonstrate that Ir nanocrystals,arranged into periodic networks on hexagonal boron nitride(h-BN)supports,can be restored without sintering after contamination by persistent *** restoration yields the complete removal of carbon from the nanocrystals,which keep their crystalline structure,allowing operation without *** findings,together with the possibility of fine tuning the nanocrystals size,confer this nanoparticle system a great potential as a testbed to extract key information about catalysis-mediated oxidation *** the case of the CO oxidation by O2,reaction of interest in environmental science and green energy production,the existence of chemical processes not observed before in other nanoparticle systems is demonstrated.

关键词： catalysis coke nanoparticles scanning tunneling microscopy(STM) X-ray photoemission spectroscopy(XPS)

Hydrogen evolution kinetics on Ni cathodes modified by spontaneous deposition of Ag or Cu

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Journal of Energy Chemistry 2017年第3期26卷 466-475页

作者： Esteban A.franceschini Gabriela I.lacconi Horacio R.Corti INfIQC-CONICET Departamento de Fisicoquímica–Facultad de Ciencias QuímicasUniversidad Nacional de CórdobaCiudad Universitaria5000 CórdobaArgentina departamento de física de la materia condensada Centro Atómico ConstituyentesComisión Nacional de Energía AtómicaAv.Gral.Paz 1499(B1650KNA)San MartínBuenos AiresArgentina INQUIMAE-CONICET Facultad de Ciencias Exactas y NaturalesUniversidad de Buenos AiresCiudad UniversitariaPabellón IIC1428EHABuenos AiresArgentina

Nickel modification by spontaneous deposition of transition metals such as Ag and Cu is shown as an economic and simple alternative for the activation of hydrogen evolution reaction（HER） on cathodes in alkaline media. The kinetics of HER is studied on Ni/Ag and Ni/Cu catalysts by cyclic voltammetry and electrochemical impedance spectroscopy（EIS） using a rotating disk electrode（Rde）. freshly synthesized catalysts, as well as catalysts subjected to a short chronoamperometric ageing procedure, are analyzed and the kinetic and thermodynamic parameters of the HER are obtained. The nickel surface modified with transition metals with an outer shell electronic configuration [xd;（x+1）s;], such as Cu(3d;4s;)and Ag(4d;5s;), shows an improved activity for the HER compared to bare nickel. furthermore, the Ni/Cu catalyst presents a decreased onset potential. The hydrogen evolution rate, measured as current density at –1.5 V（vs. SCE）, is similar on Ni/Cu and Ni/Ag electrodes.

关键词： Hydrogen evolution reaction Spontaneous deposition Nickel/Silver Nickel/Copper Electrochemical impedance spectroscopy

A plasmonic route for the integrated wireless communication of subdiffraction-limited signals

在线全文

学校读者我要写书评

暂无评论

Light(Science & Applications) 2020年第1期9卷 930-938页

作者： Hao Chi Zhang Le Peng Zhang Pei Hang He Jie Xu Cheng Qian francisco J.Garcia-Vidal Tie Jun Cui State Key laboratory of Millimeter Waves Southeast University210096 NanjingChina departamento de fisica Teorica de la materia condensada and Condensed Matter Physics Center(IfIMAC) Universidad Autonoma de MadridMadridSpain Donostia International Physics Center(DIPC) Donostia/San SebastianSpain

Perfect lenses,superlenses and time-reversal mirrors can support and spatially separate evanescent waves,which is the basis for detecting subwavelength information in the far ***,the inherent limitations of these methods have prevented the development of systems to dynamically distinguish subdiffraction-limited *** the physical merits of spoof surface plasmon polaritons(SPPs),we demonstrate that subdiffraction-limited signals can be transmitted on planar integrated SPP channels with low loss,low channel interference,and high gain and can be radiated with a very low environmental ***,we show how deep subdiffraction-limited signals that are spatially coupled can be distinguished after line-of-sight wireless *** a visualized demonstration,we realize the high-quality wireless communication of two movies on subwavelength channels over the line of sight in real time using our plasmonic scheme,showing significant advantages over the conventional methods.

关键词： communication spatially diffraction

Study of Human Serum Albumin-SPIONs Loaded PLGA Nanoparticles for Protein delivery

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Advances in Biological Chemistry 2018年第5期8卷 91-100页

作者： Sri Vidawati Silvia Barbosa Pablo Taboada Eva Villar Antonio Topete Victor Mosquera Grupo de f'lsica de Coloides y Pol'lmeros Departamento de F'&#108sica de la Materia Condensada Universidad de Santiago de Compostela Santiago de Compostela Spain

The Biodegradable nanoparticles from poly(lactic-co-glycolic acid) (PLGA) have been extensively investigated for sustained and targeted/localized delivery of different agents. Many parameters are required in the synthesis of a biodegradable polymeric nanoparticle. We report the synthesis of human serum albumin (HSA)-superparamagnetic iron oxide nanoparticles (SPIONs) loaded PLGA nanoparticles. All nanoparticles were characterized using a TEM image, UV-Vis spectroscopy measurements, Zeta Potential, and PPMS for magnetizations. This study described and investigated the interesting phenomenon in the synthesis development of HSA-SPIONs loaded PLGA nanoparticles. The result showed that the stability of HSA-SPIONs loaded PLGA nanoparticles for potential applications such as in protein delivery.

关键词： Nanoparticles PLGA SPIONs HSA

formation of Interface Bound States on a Graphene-Superconductor Junction in the Presence of Charge Inhomogeneities

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Graphene 2013年第1期2卷 35-41页

作者： Pablo Burset William Javier Herrera Alfredo Levy Yeyati departamento de física Teórica de la materia condensada and Instituto Nicolás Cabrera Universidad Autónoma de Madrid Madrid Spain departamento de física Universidad Nacional de Colombia Bogotá Colombia

Interface bound states have been theoretically predicted to appear at isolated graphene-superconductor junctions. These states are formed at the interface due to the interplay between virtual Andreev and normal reflections and provide long range superconducting correlations on the graphene layer. We describe in detail the formation of these states from combining the Dirac equation with the Bogoliubov de Gennes equations of superconductivity. On the other hand, fluctuations of the low energy charge density in graphene have been confirmed as the dominating type of disorder. for analyzing the effect of disorder on these states we use a microscopic tight binding model. We show how the formation of these states is robust against the presence of disorder in the form of electron charge inhomogeneities in the graphene layer. We numerically compute the effect of disorder on the interface bound states and on the local density of states of graphene.

关键词： Graphene Superconducting Hybrid Structures Andreev Reflection

Erratum to:Influence of metal support in-plane symmetry on the corrugation of hexagonal boron nitride and graphene monolayers

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Nano Research 2019年第5期12卷 1217-1218页

作者： Antonio J.Martinez-Galera Jose M.Gomez-Rodriguez departamento de fisica de la materia condensada Universidad Autonoma de MadridMadrid E-28049Spain Condensed Matter Physics Center(IfIMAC) Universidad Autonoma de MadridMadrid E-28049Spain Instituto Nicolas Cabrera Universidad Autonoma de MadridMadrid E-28049Spain

The writings of the text on the last line,left column on the 4^th page and the text on lines 8^th,10^th,11^th and 16^th in the 4^th paragraph,left column and on lines from 1st to 8^th in the 1st paragraph,right column on the 5^th page,and the text on line 4^th in the 1^st paragraph,left column on the 9^th page,and fig.3 and its caption on the 5^th page in the original version of this article were unfortunately incorrect.

关键词： corrugation hexagonal boron nitride graphene monolayers