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Simulation of nanostructure-based high-efficiency solar cells: challenges, existing approaches and future directions

Urs Aeberhard2013-04-07arXiv

Many advanced concepts for high-efficiency photovoltaic devices exploit the peculiar optoelectronic properties of semiconductor nanostructures such as quantum wells, wires and dots. While the optics of such devices is only modestly affected due to the small size of the structures, the optical transitions and electroni…

Mesoscale and Nanoscale PhysicsMaterials Science

Spin-Valleytronics in Silicene: Quantum-Spin-Quantum-Anomalous Hall Insulators and Single-Valley Semimetals

Motohiko Ezawa2013-04-07arXiv

Valley-based electronics, known as valleytronics, is one of the keys to break through to a new stage of electronics. The valley degree of freedom is ubiquitous in the honeycomb lattice system. The honeycomb lattice structure of silicon called silicene is an fascinating playground of valleytronics. We investigate topol…

Materials ScienceMesoscale and Nanoscale Physics

Thermodynamic properties of a diluted Heisenberg ferromagnet with interaction anisotropy -- magnetocaloric point of view

Karol Szałowski、Tadeusz Balcerzak、Andrej Bobák2013-04-07arXiv

The thermodynamics of a site-diluted ferromagnetic Heisenberg model for spin $S=1/2$ with interaction anisotropy in spin space is investigated. The study is aimed at presenting the magnetocaloric properties of such a model, including the entropy and temperature changes in magnetization/demagnetization processes, gener…

Materials Sciencecond-mat.stat-mech

A simple thermodynamic description of the combined Einstein and elastic models

Tadeusz Balcerzak、Karol Szałowski、Michal Jaščur2013-04-07arXiv

Simple application of the Einstein model combined with the elastic description of solid state is developed. The frequency of quantum oscillators has been assumed as volume dependent and, furthermore, elastic energy terms of static character have been included to complete the description. Such an extension enables to c…

cond-mat.stat-mechMaterials Science

Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction

Jianming Chen、Jinyang Xi、Dong Wang 等 4 位作者2013-04-07OpenAlex

We show here that the carrier mobility in the novel sp-sp(2) hybridization planar 6,6,12-graphyne sheet should be even larger than that in the graphene sheet. Both graphyne and graphene exhibit a Dirac cone structure near the Fermi surface. However, due to the sp-sp(2) hybridization forming the triple bonds in graphyn…

Carbon Nanotubes in CompositesGraphene research and applicationsAdvancements in Battery Materials

Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion

В. Ф. Шульгин、О. В. Конник、S. V. Abkhairova 等 9 位作者2013-04-06Inorganica Chimica Acta

A series of [H3O]+[LnL4]−·nH2O complexes (n = 1–3, Ln = Nd, (1), Sm (2), Eu (3), Tb (4); HL = 3-methyl-1-phenyl-4-formylpyrazole-5-one) were synthesized and characterized. The structures of the SmIII and EuIII complexes were investigated by X-ray diffraction. The isostructutal crystalls 2 and 3 consist the tetrakis [L…

Molecular Sensors and Ion DetectionMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Electrospun PLGA/gelatin fibrous tubes for the application of biodegradable intestinal stent in rat model

So‐Ra Son、Rose Ann Franco、Sang‐Ho Bae 等 5 位作者2013-04-06Journal of Biomedical Materials Research Part B Applied Biomaterials

A biodegradable fibrous tube was fabricated by electrospinning method using a combination of Poly(lactic-co-glycolic acid) (PLGA) and gelatin dissolved in trifluoroethanol (TFE). Different ratios of the two polymers (PLGA/Gelatin: 1/9, 3/7, 5/5) were used for electrospinning to determine the optimum condition appropri…

Tissue Engineering and Regenerative MedicineAdvanced Sensor and Energy Harvesting MaterialsElectrospun Nanofibers in Biomedical Applications

Facile synthesis of self-stabilized polyphenol nanoparticles

Ali̇ Bi̇li̇ci̇、Fati̇h Doğan、Mehmet Yıldırım 等 4 位作者2013-04-06Materials Chemistry and Physics

We describe here the facile synthesis (in two-steps) of green light emitting phenol polymer with an azomethine side group. For this purpose, hydroxy functionalized-Schiff base monomer , HPMBT , was obtained by condensation of 2,3,4-trihydroxybenzaldehyde with 2-aminophenol. Subsequent oxidation of the monomer in alkal…

Synthesis and properties of polymersConducting polymers and applicationsOrganic Electronics and Photovoltaics

Magnitude and Origin of the Enhanced Basicity of the Catalytic Glutamate of Triosephosphate Isomerase

M. Merced Malabanan、Lucía Nitsch-Velásquez、Tina L. Amyes 等 4 位作者2013-04-06Journal of the American Chemical Society

Glu-167 of triosephosphate isomerase from Trypanosoma brucei brucei (TbbTIM) acts as the base to deprotonate substrate to form an enediolate phosphate trianion intermediate. We report that there is a large ~6 pK unit increase in the basicity of the carboxylate side chain of Glu-167 upon binding of the inhibitor phosph…

Erythrocyte Function and PathophysiologyEnzyme Structure and FunctionProtein Structure and Dynamics

Cu2Ge(S3–xSex) Colloidal Nanocrystals: Synthesis, Characterization, and Composition-Dependent Band Gap Engineering

Chi Yang、Bin Zhou、Shu Miao 等 7 位作者2013-04-06Journal of the American Chemical Society

A facile solution-phase route was developed to synthesize a family of monodisperse Cu2Ge(S(3-x)Se(x)) alloyed nanocrystals (NCs) with controlled composition across the entire range (0 ≤ x ≤ 3). The band gaps of the resultant NCs can be engineered by tuning the compositions with a nearly linear relationship between the…

Quantum Dots Synthesis And PropertiesCopper-based nanomaterials and applicationsChalcogenide Semiconductor Thin Films

Liquid Crystal-Based Emulsions for Synthesis of Spherical and Non-Spherical Particles with Chemical Patches

Frédéric Mondiot、Xiaoguang Wang、Juan Pablo 等 4 位作者2013-04-06Journal of the American Chemical Society

We report the use of liquid crystal (LC)-in-water emulsions for the synthesis of either spherical or non-spherical particles with chemically distinct domains located at the poles of the particles. The approach involves the localization of solid colloids at topological defects that form predictably at surfaces of water…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

A Dual-Modality Photoswitchable Supramolecular Polymer

Qi‐Wei Zhang、Da‐Hui Qu、Junchen Wu 等 6 位作者2013-04-06Langmuir

Covalent or noncovalent linked polymers with stimuli-responsive properties have been well researched as a kind of advanced functional materials. However, little effort has been devoted to establishing a bridge for switching between covalent polymers and noncovalent polymers. Actually, such unitive system is promising…

Photochromic and Fluorescence ChemistryLuminescence and Fluorescent MaterialsSupramolecular Self-Assembly in Materials

Highly Efficient Transformation of the DiatomPhaeodactylum tricornutumby Multi-Pulse Electroporation

Mado Miyahara、Masaki Aoi、Natsuko Inoue‐Kashino 等 5 位作者2013-04-06Bioscience Biotechnology and Biochemistry

A highly efficient nuclear transformation method was established for the pennate diatom Phaeodactylum tricornutum using an electroporation system that drives multi-sequence pulses to introduce foreign DNAs into the cells. By optimizing pulse conditions, the diatom cells can be transformed without removing rigid silica…

Protist diversity and phylogenyDiatoms and Algae ResearchAlgal biology and biofuel production

Flexoelectric deformation of a homogeneously polarized ball

A. S. Yurkov2013-04-06arXiv

The problem of finding the elastic strains arising due to the converse flexoelectric effect is solved for a case of uniformly polarized ball of isotropic dielectric material. The strains occurs due to the fact that, as shown in a previous paper, in presence of flexoelectricity elastic boundary condition has non-classi…

Materials Science

Effect of activation procedure on Sm-Co-Fe-Zr-B compound for low temperature efficient hydrogen storage

S. S. Makridis、Ch. N. Christodoulou、E. S. Kikkinides 等 4 位作者2013-04-06arXiv

The present research work is focused on the effect of activation procedure on the hydrogen absorption-desorption properties of new rare earth transition metal compound based on Sm(Co0.6Fe0.2Zr0.16B0.04)7.5 composition. Crystal structure and composition is always connected to the maximum capacity of the intermetallic h…

Materials Science

Integrated Computational Materials Design: From Genome o Flight

Gregory B. Olson2013-04-0554th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference

The depth of scientific knowledge in physical metallurgy has enabled the development of a successful computational materials design methodology grounded in a system of fundamental databases. Expansion of the approach to embrace acceleration of the full development and qualification cycle has demonstrated flight of the…

Metal Forming Simulation TechniquesMicrostructure and mechanical propertiesAluminum Alloys Composites Properties

Inelastic collapse in one-dimensional driven systems under gravity

J. Wakou、Hiroaki Kitagishi、Takahiro Sakaue 等 4 位作者2013-04-05Physical Review E

We study inelastic collapse in a one-dimensional $N$-particle system when the system is driven from below under gravity. We investigate the hard-sphere limit of inelastic soft-sphere systems by numerical simulations to find how the collision rate per particle ${n}_{\mathrm{coll}}$ increases as a function of the elasti…

Geology and Paleoclimatology ResearchMaterial Dynamics and PropertiesGranular flow and fluidized beds

Antiferroelectric to ferroelectric phase switching and dielectric properties of Ba doped lead lanthanum zirconate stannate titanate ceramics

N Zhang、Yang Feng、Yonghao Xu 等 4 位作者2013-04-05Materials Research Innovations

Antiferroelectric to ferroelectric phase transition induced by electric field is accompanied by large strain and significant hysteresis. The effects of barium addition on the electrical and dielectric properties of (Pb0·94−xLa0·04Bax)(Zr,Sn,Ti)O3 antiferroelectric ceramics were investigated, with the intention of redu…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Structure and magnetic properties of nanocrystalline Ni0·64Zn0·36Fe2O4powders prepared by ball milling

Kh. Gheisari、Sh. Shahriari、A Rezvanpour 等 4 位作者2013-04-05Powder Metallurgy

In this study, nanocrystalline Ni0·64Zn0·36Fe2O4 powders were prepared using a planetary ball mill. The evolution of the microstructure and magnetic properties during the milling were studied by X-ray diffraction technique, scanning electron microscopy, transmission electron microscopy and vibrating sample magnetometr…

Magnetic Properties and Synthesis of FerritesMagnetic properties of thin filmsMetallic Glasses and Amorphous Alloys

C 60 + and B 80 + : A Comparative Study of the Jahn-Teller Effect

Harry Ramanantoanina、Jules Tshishimbi Muya、Arnout Ceulemans 等 4 位作者2013-04-05Journal of Physics Conference Series

The ground state wave function of the neutral icosahedral C 60 and B 80 belong to the totally symmetric representation, where the HOMOs are fivefold degenerate and form the basis of the H u representation of the I h point group. Hence both C 60 + , and B 80 + are prone to a molecular distortion of the Jahn-Teller type…

Boron and Carbon Nanomaterials ResearchAdvanced Chemical Physics StudiesFullerene Chemistry and Applications