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。
We report systematic density-functional theory calculations of the structure and energetics of ${\text{Au}}_{n}$ nanorows $(n=1--7)$ and clusters $(n=1--12)$ adsorbed on the defected (110) rutile surface. The calculations show that gold nanorows bind strongly to a missing-row defected ${\text{TiO}}_{2}$ surface with a…
Abstract Two terdentate pyrazine‐based amide ligands have been prepared from methyl pyrazine‐2‐carboxylate and 2‐(aminomethyl)pyridine (H L 1M ) or 2‐(2‐aminoethyl)pyridine (H L 1E ) in order to probe the potential of the “spare” nitrogen atom “out the back” of the pyrazine ring to coordinate to a different metal ion…
Whether a phase separation or a cocrystallization occurs in poly(hexamethylene succinate-co-hexamethylene adipate) (P(HS-co-HA)) copolymers was studied with a combination of wide-angle X-ray diffraction (WAXD) and Fourier transform infrared (FTIR) spectroscopy. With HA as the majority, the presence of HS comonomers le…
Abstract The optimization of synthetic methodologies that lead to novel synthetically and electronically valuable SubPc molecules is of great interest for the use of these molecules in applied fields. In this work, we describe some useful procedures for the incorporation of diverse functional groups in the periphery o…
Imidazo[4,5-f]-1,10-phenanthroline and pyrazino[2,3-f]-1,10-phenanthroline substituted with long alkyl chains are versatile ligands for the design of metallomesogens because of the ease of ligand substitution. Whereas the ligands and the corresponding rhenium(I) complexes were not liquid-crystalline, mesomorphism was…
Abstract Two different black silicon nanostructured surfaces modified with thin gold layers were tested for analytical signal enhancement with Surface‐Enhanced Raman Spectroscopy (SERS). The relationship between the thicknesses of the gold layers and the analytical signal enhancement was studied. Also, effects of Ti a…
The research and development of new substrates for use in surface-enhanced spectroscopy is primarily motivated by the ability to tune such substrates to provide maximum signal enhancement and therefore lower detection limits. We examined a series of multilayer nanoparticle (NP) arrays with between 1 and 17 NP layers u…
Neutron and x-ray weighted total scattering structure factors of liquid carbon, silicon, germanium, and tin tetrachlorides, CCl(4), SiCl(4), GeCl(4), and SnCl(4), have been interpreted by means of reverse Monte Carlo modeling. For each material the two sets of diffraction data were modeled simultaneously, thus providi…
In this study, glucose oxidase (GOX) was immobilized in polylactide (PLA) fibers that were used to activate the lactoperoxidase (LP) system in milk. The GOX-containing microfibers were electrospun from emulsions prepared by dispersing aqueous GOX in PLA dissolved in a chloroform and N,N-dimethylformamide blend, using…
Especially for the production of active pharmaceutical ingredients, the use of process analytical technology (PAT) is highly encouraged by the U.S. Food and Drug Administration. In crystallization and granulation processes, in situ particle characterization is the most important PAT. The technique of Focused Beam Refl…
Abstract Expanded porphyrins : The electronic excited states of two forms of meso ‐hexakis(pentafluorophenyl)‐substituted gold(III) hexaphyrin(1.1.1.1.1.1), such as that depicted, have been investigated by density functional calculations and magnetic circular dichroism spectroscopy to assign their low‐energy excited s…
In this work we develop a theoretical framework of the interaction of microbubbles with bacteria in the ultrasound field using a shell model of the bacteria, following an approach developed previously [P. V. Zinin, Phys. Rev. E 72, 61907 (2005)]. Within the shell model, the motion of the cell in an ultrasonic field is…
Time dependent density functional theory (TDDFT) is used to study the important factors that control the photoisomerization of diarylperfluorocyclopentenes. The calculations are carried out for free molecules and for diarylperfluorocyclopentenes perturbed by gold atoms. Potential energy surfaces for the cyclization re…
Charge transfer photoinduced by steady light absorption on a silicon surface leads to formation of a surface photovoltage (SPV). The dependence of this voltage on the structure of surface adsorbates and on the wavelength of light is studied with a combination of ab initio electronic structure calculations and the redu…
We studied the structural and physical properties of powder samples of the high-pressure ${\text{LaMn}}_{7}{\text{O}}_{12}$ compound by means of neutron diffraction, dc magnetization, specific-heat, and dc electrical resistivity measurements. Our structural refinement shows that ${\text{LaMn}}_{7}{\text{O}}_{12}$ is t…
This paper presents molecular dynamics simulations of methanoic acid and methylamine molecules interacting with various calcite and magnesite surfaces in aqueous conditions. A new set of potentials for the interaction of nitrogen atoms with mineral surfaces is fitted and tested using ab initio methods. The results sho…
We present an angle resolved photoemission study of V2O3, a prototype system for the observation of Mott transitions in correlated materials. We show that the spectral features corresponding to the quasiparticle peak in the metallic phase present a marked wave vector dependence, with a stronger intensity along the Gam…
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTA Simple Route to Multimodal Composite NanoparticlesKim Y. van Berkel†, Ashley M. Piekarski†, Paul H. Kierstead†, Eric D. Pressly†, Paresh C. Ray‡, and Craig J. Hawker*†View Author Information Materials Research Laboratory and Depar…
The impregnation of electrode precursor solutions is a very powerful technique for creating novel electrode microstructures constrained within preformed scaffolds. Here we report on the microstructural evolution of Mn-containing perovskites impregnated into yttria stabilized zirconia scaffolds on heating and redox cyc…
We introduce a new technique to measure tracer dynamics, which is sensitive to single metal nanoparticles down to a radius of 2.5 nm with a time resolution of a few microseconds. It is based on a fluctuation analysis of a heterodyne photothermal scattering signal emanating from the hot halo around the laser-heated tra…