Materials Literature
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We have designed and synthesized a multidentate polymer ligand used for water-solubilization of luminescent quantum dots (QDs). The synthesis of the multidentate ligand (PAA-g-MEA) was based on several thiol groups grafted to a linear polymer chain through a simple carboxy-amine coupling reaction between poly(acryl ac…
The photocatalytic degradation of polyethylene (PE) plastic was carried out directly under the sunlight irradiation with polypyrrole/TiO2 (PPy/TiO2) nanocomposite as photocatalyst, which prepared by sol-gel and emulsion polymerization methods. The photocatalytic degradation efficiency was determined by weight loss mon…
The electron paramagnetic resonance (EPR) linewidths of B acceptors in Si are found to reduce dramatically in isotopically purified 28Si single crystals. Moreover, extremely narrow substructures in the EPR spectra are visible corresponding to either an enhancement or a reduction of the absorbed microwave on resonance.…
Recent experimental data on the optical conductivity of niobium-doped ${\text{SrTiO}}_{3}$ are interpreted in terms of a gas of large polarons with effective coupling constant ${\ensuremath{\alpha}}_{\text{eff}}\ensuremath{\approx}2$. The theoretical approach takes into account many-body effects, the electron-phonon i…
In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact expressions for the correlation energy within the GW-RPA approximation that are…
Non-lithographic fabrication of a self-aligned nanopore SERS array with large-area hexagonal symmetry is achieved by Au deposition on an anodized aluminum oxide (AAO) template. Precise self-formation of plasmonic nanopore arrays with facile structural tunability allows control of the SERS response, and results in high…
We report a new strategy to synthesize the hierarchical mesoporous zeolite through design of mesoscale cationic surfactant cetyltrimethylammonium bromide (CTAB) micelle with cosolvent tert-butyl alcohol (TBA) and the 1,3,5-trimethylbenzene (TMB) additive, by which the formation of hierarchical mesostructure arose from…
In the current work considering the wave model of the crystal growth control, an influence of heterogeneity of the medium on the forming martensite crystal s profile was examined. The considering of the heterogeneity is provided with the help of putting into operations the space-depending effective attenuation of the…
Graphene has been considered by many as a revolutionary material with electronic and structural properties that surpass conventional semiconductors and metals. Due to its superlative qualities, graphene is being considered as the reference material for a post-CMOS technology. Furthermore, graphene is also quite unusua…
Intra and intersubband scattering rates and electron capture rates are considered when mediated by hybrid optical phonons in an AlAs/GaAs/AlAs double heterostructure confined between two outer metallic barriers. In evaluating scattering rates we concentrate first on an infinite quantum well for the electrons and show…
This work reports theoretical and experimental study of the X-ray absorption near-edge structure (XANES) at the Mn K-edge in (Ga,Mn)As diluted magnetic semiconductors. The spectra have been calculated from the first-principles using FLAPW including the core-hole effect, a special attention has been paid to consequence…
This paper reviews nearly $20\phantom{\rule{0.3em}{0ex}}\text{years}$ of research related to antiferroelectric liquid crystals and gives a short overview of possible applications. ``Antiferroelectric liquid crystals'' is the common name for smectic liquid crystals formed of chiral elongated molecules that exhibit a nu…
Complete magnetoelectric (ME) phase diagrams of orthorhombic $R{\text{MnO}}_{3}$ with and without magnetic moments on the $R$ ions have been established. Three kinds of multiferroic ground states, the $ab$-cycloidal, the $bc$-cycloidal, and the collinear $E$-type phases, have been identified by the distinct ME respons…
Improvement of the robustness of superhydrophobic surfaces is critical in order to achieve commercial applications of these surfaces in such diverse areas as self-cleaning, water repellency and corrosion resistance. In this study, the mechanical robustness of superhydrophobic surfaces was evaluated on hierarchically s…
It is commonly accepted that titanium and the titanium alloying elements of tantalum, niobium, zirconium, molybdenum, tin, and silicon are biocompatible. However, our research in the development of new titanium alloys for biomedical applications indicated that some titanium alloys containing molybdenum, niobium, and s…
IMPORTANCE OF THE FIELD: Although significant progress has been made in delivering therapeutic agents through micro and nanocarriers, precise control over in vivo biodistribution and disease-responsive drug release has been difficult to achieve. This is critical for the success of next generation drug delivery devices…
Radiation damage inflicted during diffraction data collection in macromolecular crystallography has re-emerged in the last decade as a major experimental and computational challenge, as even for crystals held at 100 K it can result in severe data-quality degradation and the appearance in solved structures of artefacts…
Classical density-modification techniques (as opposed to statistical approaches) offer a computationally cheap method for improving phase estimates in order to provide a good electron-density map for model building. The rise of statistical methods has lead to a shift in focus away from the classical approaches; as a r…
The programs SHELXC, SHELXD and SHELXE are designed to provide simple, robust and efficient experimental phasing of macromolecules by the SAD, MAD, SIR, SIRAS and RIP methods and are particularly suitable for use in automated structure-solution pipelines. This paper gives a general account of experimental phasing usin…
Coot is a molecular-graphics application for model building and validation of biological macromolecules. The program displays electron-density maps and atomic models and allows model manipulations such as idealization, real-space refinement, manual rotation/translation, rigid-body fitting, ligand search, solvation, mu…