Materials Literature
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Doubly hybrid (DH) functionals present a new class of density functionals, which enfold the nonlocal orbital‐dependent components not only in the exchange part but also in the correlation part. Different types of DH functionals have been proposed according to different philosophies. DH functionals are shown to better…
Considering that multiwalled carbon nanotubes (MWCNTs) can be used as anisotropic and stiff nano-objects acting as minority physical cross-linking points dispersed in soft polymer grafting matrixes, a series of copolymer-grafted multiwalled carbon nanotube composite thermoplastic elastomers (CTPEs), MWCNT- graft -poly…
X-ray serial microcrystallography involves the collection and merging of frames of diffraction data from randomly oriented protein microcrystals. The number of diffracted X-rays in each frame is limited by radiation damage, and this number decreases with crystal size. The data in the frame are said to be sparse if too…
In this study, Co–N–C supported on silica spheres is prepared through heat-treatment of supported metalloporphyrin in an N 2 atmosphere.
The vertically heterostructured MoS 2 bilayers display a wide range of lattice registry relative to bulk MoS 2 through a single or combined in-plane displacement, out-of-plane displacement, and in-plane rotation. Here using density functional theory and numerical structural analysis, we examine both the atomic and ele…
The structure of precursors is used to control the formation of six possible structural isomers that contain four structural units of PbSe and four structural units of NbSe2: [(PbSe)1.14]4[NbSe2]4, [(PbSe)1.14]3[NbSe2]3[(PbSe)1.14]1[NbSe2]1, [(PbSe)1.14]3[NbSe2]2[(PbSe)1.14]1[NbSe2]2, [(PbSe)1.14]2[NbSe2]3[(PbSe)1.14]…
The current waste management system is based primarily on landfills, thermal recycling and down-cycling. On the other hand, only a small portion of the end-of-life materials is recycled by depolymerization. In more detail, low-molecular weight commodities/monomers are produced by this process, which can be polymerized…
We report herein an innovative approach to remove the anodic aluminum oxide (AAO) template completely without any further treatments, just through a subsequent sulfidation process to convert ZnO/AAO nanotubes to ZnO/ZnS core/shell nanotubes. The sulfidation treatment to attain well-ordered ZnO/ZnS core/shell arrays wa…
A series of N-confused free-base meso-substituted tetraarylporphyrins was investigated by electrochemistry and spectroelectrochemistry in nonaqueous media containing 0.1 M tetra-n-butylammonium perchlorate (TBAP) and added acid or base. The investigated compounds are represented as (XPh)4 NcpH2 , in which "Ncp" is the…
The MSN spheres with narrow size distribution and radially oriented mesoporous channels were prepared using an O/W microemulsion system, consisting of CTAB (or PVP), ethanol, cyclohexane and water as template.
Although the formation of dynamic heterogeneities in glass-forming materials is believed to play an essential role in determining their properties as the glass transition is approached, direct imaging of these heterogeneities remains a challenge. Here, we report on a direct observation of nanoscale dynamic heterogenei…
An electro-optic tunable device is fabricated by the incorporation of silica nanoparticles as a dopant into polymer-dispersed liquid crystal composite film followed by UV curing through polymerisation-induced phase separation process. These silica-modified fibrous aggregates of polydimethylsiloxane provide stability t…
Due to the increasing demand for power generation and the limited nature of fossil fuels, new initiatives for energy development based on electrochemical energy conversion systems are springing up around the world. Introduction to Electrochemical Science and Engineering describes the basic operational principles for a…
The number of charges and/or organic ligands covalently attached to the surface of CdTe quantum dot nanoparticles has been determined from their electrophoretic mobilities measured in capillaries filled with free electrolyte buffers. Three sizes of water soluble CdTe quantum dots with 3-mercaptopropionic and thioglyco…
GaN nanostructures with various effective refractive index profiles (Linear, Cubic, and Quintic functions) were numerically studied as broadband omnidirectional antireflection structures for concentrator photovoltaics by using three-dimensional finite difference time domain (3D-FDTD) method. Effective medium theory wa…
Cyclodextrin complexation of chitosan presents a novel route to achieve nanofibers of chitosan and other difficult-to-electrospin biopolymers.
The base-free selective catalytic oxidation of n-butanol by O2 in an aqueous phase has been studied using Au-Pd bimetallic nanoparticles supported on titania. Au-Pd/TiO2 catalysts were prepared by different methods: wet impregnation, physical mixing, deposition-precipitation and sol immobilisation. The sol immobilisat…
Four secondary organic moiety templated organic–inorganic polyoxometalate-based framework compounds have been synthesized and characterized.
Abstract Partially biodegradable polymer films from the blends of polypropylene (PP) and poly(L-lactide) (PLLA) were prepared in an internal mixer by melt blending technique, with and without compatibilizer, maleic anhydride grafted polypropylene (MAPP), followed by compression molding. With regard to tensile properti…
The reactivity and toxicity of nano-TiO 2 are controlled to a large extent by its phase composition. Although numerous studies have focused on the environmental impacts of nano-TiO 2, the phase composition of TiO 2 in environmental samples remains unknown. Using Ti K-edge X-ray absorption near-edge structure (XANES) s…