Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Determining the atomic structures of oxide surfaces is critical for understanding their physical and chemical properties but also challenging because the breaking of atomic bonds in the formation of the surface termination can involve complex reconstructions. We used advanced transmission electron microscopy to direct…
The packing of protein atoms is an indicator for their stability and functionality, and applied in determining thermostability, in protein design, ligand binding and to identify flexible regions in proteins. Here, we present Voronoia, a database of atomic-scale packing data for protein 3D structures. It is based on an…
Using molecular-dynamics simulation, we study the crater volumes induced by energetic impacts ($v= 1- 250$ km/s) of projectiles containing up to N=1000 atoms. We find that for Lennard-Jones bonded material the crater volume depends solely on the total impact energy $E$. Above a threshold $\Eth$, the volume rises linea…
Mesenchymal stem cells (MSCs) have tremendous potential for regenerative medicine, and have been researched for the treatment of cardiovascular diseases. MSCs are a promising cell type because of their ease of isolation and expansion, their multipotency and their low immunogenicity. However, in order to fully utilize…
The spectacular metal-to-insulator transition of V2O3 can be progressively suppressed in thin film samples. Evidence for phase separation was observed using microbridges as a mesoscopic probe of transport properties where the same film possesses domains that exhibit a metal-to-insulator transition with clear first ord…
This paper investigates the interaction between five-coordinate ferric hemes with bound axial imidazole ligands and nitric oxide (NO). The corresponding model complex, [Fe(TPP)(MI)(NO)](BF4) (MI = 1-methylimidazole), is studied using vibrational spectroscopy coupled to normal coordinate analysis and density functional…
We report a temperature-dependent investigation of the multiferroic perovskite bismuth ferrite ${\text{BiFeO}}_{3}$ (BFO) by using x-ray powder diffraction together with differential scanning calorimetry measurements. Our results provide evidence that the paraelectric phase above ${T}_{c}=820\text{ }\ifmmode^\circ\els…
We study theoretically the dispersion of plasmonic honeycomb lattices and find Dirac spectra for both dipole and quadrupole modes. Zigzag edge states derived from Dirac points are found in ribbons of these honeycomb plasmonic lattices. The zigzag edge states for out-of-plane dipole modes are closely analogous to the e…
In this paper we present theoretical analysis of the electron transport in conducting polymers. We concentrate on the study of the effects of temperature on characteristics of the transport. We treat a conducting polymers in a metal state as a network of metallic-like grains connected by electron quantum tunneling via…
We applied soft X-ray absorption spectroscopy to study the Ti L-edge in ferroelectric capacitors using a modified total electron yield method. The inner photo currents and the X-ray absorption spectra were polarization state dependent. The results are explained on the basis of photo electric effects and the inner pote…
We consider the NMR signal from a permeable medium with a heterogeneous Larmor frequency component that varies on a scale comparable to the spin-carrier diffusion length. We focus on the mesoscopic part of the transverse relaxation, that occurs due to dispersion of precession phases of spins accumulated during diffusi…
We combine small-angle x-ray scattering (SAXS) and wide-angle x-ray scattering (WAXS) with aerodynamic levitation techniques to study in situ phase transitions in the liquid state under contactless conditions. At very high temperatures, yttria-alumina melts show a first-order transition, previously inferred from phase…
Splitting water: Oxygen-permeable perovskite hollow-fiber membranes are used to produce hydrogen and synthesis gas from water and methane (see picture). The process yields valuable compounds, and provides insight into the interplay of catalysis and separation in a membrane reactor.
Using the CASSCF/CASPT2 approach, along with several DFT methods (PBE0, B3LYP, BP86, OLYP), we have investigated the bonding of CO, NO, and O2 molecules to two model heme systems: an iron(II) porphyrin with and without an axial imidazole ligand. The experimentally available binding energies are best reproduced by the…
An optimized, pH-sensitive mixed-micelle system conjugated with folic acid is prepared in order to challenge multidrug resistance (MDR) in cancers. The micelles are composed of poly(histidine (His)-co-phenylalanine (Phe))-b-poly(ethylene glycol) (PEG) and poly(L-lactic acid) (PLLA)-b-PEG-folate. Core-forming, pH-sensi…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTAqueous Suspension and Characterization of Chemically Modified Graphene SheetsSungjin Park†, Jinho An†, Richard D. Piner†, Inhwa Jung†, Dongxing Yang†, Aruna Velamakanni†, SonBinh T. Nguyen‡, and Rodney S. Ruoff*†View Author Information Department of Mechanical Enginee…
A nanoscale hybrid filler comprising single-walled carbon nanotubes and graphite nanoplatelets provides a synergistic effect in the enhancement of thermal conductivity of epoxy composites, which is ascribed to the formation of a more efficient percolating network with significantly reduced thermal interface resistance.
The emergence of a Hydrogen Economy will require the development of new media capable of safely storing hydrogen in a compact and light weight package. Metal hydrides and complex hydrides, where hydrogen is chemically bonded to the metal atoms in the bulk, offer some hope of overcoming the challenges associated with h…
Silicon oxide nanowires were decorated with magnetically hard 3-5 nm-sized CoPt nanoparticles using a simple physical deposition system without any pretreatment of the nanowire surface. High curvature of the nanowire surface together with the weak metal-substrate interaction helped to maintain discrete particle morpho…
Abstract In this article, we present a simple method toward achieving global orientation isotropy in a capillary‐extruded thermotropic liquid crystal polymer (TLCP), that is, a random copolyester of 73 mol% hydroxybenzoic acid (HBA) and 27 mol% hydroxynaphthoic acid (HNA), by passing it through porous, flow altering m…