Materials Literature
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We experimentally demonstrate that the guiding waves can be perfectly bended and transmitted by using anisotropic zero-index materials (AZIMs). In our experiment, the split-ring resonators are used to realize AZIMs, whose permeability component along the wave propagating direction is designed as zero. Meanwhile, metal…
The competition between free surfaces and internal grain boundaries as preferential sites for dislocation nucleation during plastic deformation in aluminum bicrystalline nanowires is investigated using molecular dynamics simulations at room temperature. A number of nanowires containing various minimum energy interface…
Abstract The thermal [2+2] cycloaddition–retroelectrocyclization (CA‐RE) reaction between a range of alkynes, activated by electron‐donating anilino (p‐H2NC6H4‐) substituents, and the electron‐deficient olefins tetracyanoethene (TCNE) and 7,7,8,8‐tetracyano‐p‐quinodimethane (TCNQ) delivered anilino‐substituted polycya…
We present a novel type of surface-enhanced Raman scattering (SERS) substrate constituted of a 3-dimensinal polymeric inverse opal (IO) photonic crystal frame with gold nanorods (Au-NRs) decorating on the top layer. This substrate employs resonant excitation as well as constructive backward scattering of Raman signals…
The raw clay minerals kaolinite and halloysite were calcined at controlled temperature and time, to obtain metakaolinite and metahalloysite, respectively. The resulting materials were used as supports for the anionic iron(III) porphyrin [Fe(TDFSPP)] (FePor) and found that only metahalloysite is adequate for FePor immo…
Abstract The anticipated benefits of engineered nanomaterials (ENMs) should be weighed against their possible negative impacts. Comprehensive environmental assessment (CEA) provides a means of evaluating such trade‐offs in a holistic and systematic manner. CEA consists of both a framework for organizing information an…
The catalytic mechanism of doped complex hydrides for hydrogen storage remains unconfirmed. Here, we report a simple method to separate the active species of Ti-based catalysts in NaAlH(4) by filtration using tetrahydrofuran (THF) as solvent. The results show that the average particle size of the obtained Al-Ti active…
There are examples aplenty in the macroscopic world that demonstrate the form of objects directing their functions and properties. On the other hand, the fabrication of extremely small objects having precisely defined structures has only recently become an attractive challenge, which is now opening the door to nanosci…
We present a general formula of the orbital magnetization of disordered systems based on the Keldysh Green's function theory in the gauge-covariant Wigner space. In our approach, the gauge invariance of physical quantities is ensured from the very beginning, and the vertex corrections are easily included. Our formula…
The work describes the synthesis and in vivo application of [Gd(L)(H2O)]·xH2O, where L is a ((125)I/(127)I-RGD)- DOTA conjugate, as a tumor-targeting SPECT/MR bimodal imaging probe. Here, ((125)I/(127)I-RGD)-DOTA signifies a "cocktail mixture" of radioisotopic (1a, L = (125)I-RGD-DOTA) and natural (1b, L = (127)I-RGD-…
We explore the transmission properties of electrons through an n-p-n junction and propose a design for a strain-controlled electron switch in graphene. We analyze the conductance as a function of the strain magnitude and direction, the energy gap, the width and height of the potential barrier, and the energy of the in…
Identifying the chemical state and coupling with morphological information in three dimensions are of great interest in energy storage materials, which typically involve reduction-oxidation cycling and structural evolution. Here, we apply x-ray nano-tomography with multiple x-ray energies to study oxidation states of…
The synthesis and characterisation of a new donor–chromophore–acceptor system based on poly(vinyltriphenylamine) as the electron donor and a glycine-functionalised bis(2,2′;6′,2′′-terpyridine)ruthenium(II) complex acting both as a chromophore and as an anchor group attached to ZnO nanorods as the electron acceptor are…
Abstract We determine the thermal ionization energy of the excited state of Ce3+ in a SrHfO3 host by a contactless optical method based on the measurement and analysis of delayed recombination decay following UV excitation. We show the applicability of the method for microcrystalline powder samples. The method provide…
Coaxial core/shell nanostructures with type II band alignment have attracted considerable attention due to their advantages in significant enhancement of visible light absorption, effective charge separation, and improved photoelectrochemical performance. In our study, ZnO/ZnSxSe1−x/ZnSe core/shell/shell nanowires hav…
A highly electrophilic ruthenium center in the [RuCl(dppe)(2)][OTf] complex brings about the activation of the B-H bond in ammonia borane (H(3)N·BH(3), AB) and dimethylamine borane (Me(2)HN·BH(3), DMAB). At room temperature, the reaction between [RuCl(dppe)(2)][OTf] and AB or DMAB results in trans-[RuH(η(2)-H(2))(dppe…
An effective way used to extend omnidirectional electronic gap (OEG) by using Thue-Morse gapped graphene superlattice (GSL) heterostructure is proposed. The heterostructure consists of different Thue-Morse gapped graphene superlattices with different width ratios of potentials. The optimal potential width ratios of co…
A new force field for fast molecular dynamics simulations in flexible aluminosilicates is presented. Starting from a force field previously developed in our laboratory, an adaptation to CHARMM functional form and a subsequent optimization are performed. The obtained force field is validated checking its ability to cor…
Wall flow–type particulate filters are used in diesel vehicle engines to reduce particulate emissions below the limits established in regulations Euro 5 and Euro 6. The soot accumulated in the trap is eliminated during regeneration processes, often combining passive strategies with active ones. Active regeneration is…
We demonstrate in this paper a unique self-supporting strategy for the synthesis of hyperbranched polyethylenes (HBPEs) encapsulating Pd(II) species as efficient and recyclable catalysts for Heck reaction. This strategy combines remarkably the synthesis of HBPE polymer support and the immobilization of Pd(II) species…