Materials Literature
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Metal/TiO 2 interfaces have been extensively studied because of their importance in electronic devices, electrochemical cells, and photocatalysis. In this article, we present our studies on electronic structures for anatase TiO 2 (001)/fcc-metal(001) (metal = Pt, Pd, or Au) interfaces using first-principles calculatio…
Pressure-induced structural and electronic transformations of tungsten disulfide (WS 2 ) have been studied to 60 GPa, in both hydrostatic and nonhydrostatic conditions, using four-probe electrical resistance measurements, micro-Raman spectroscopy, and synchrotron X-ray diffraction. The results show the evidence for an…
We present ab initio $GW$ plus cumulant-expansion calculations for an organic compound ${(\mathrm{TMTSF})}_{2}{\mathrm{PF}}_{6}$ and a transition-metal oxide ${\mathrm{SrVO}}_{3}$. These materials exhibit characteristic low-energy band structures around the Fermi level, which bring about interesting low-energy propert…
Understanding the fundamental relationship between the size and the structure of electrode materials is essential to design catalysts and enhance their activity. Therefore, spherical gold nanoparticles (GNSs) with a mean diameter from 4 to 15 nm were synthesized. UV/Vis spectroscopy, transmission electron microscopy,…
Here we show a heterogeneous energy landscape approach to describing the Kohlrausch-Williams-Watts (KWW) relaxation function. For a homogeneous dynamic process, the distribution of free energy landscape is first proposed, revealing the significance of rugged fluctuations. In view of the heterogeneous relaxation given…
Most photocatalysts only function under illumination, while many potential applications require continuous activities in dark. Thus, novel photocatalysts should be developed, which could store part of their photoactivity in "memory" under illumination and then be active from this "memory" after the illumination is tur…
Chitosan nanoparticles (CS) and chitosan/pepper tree (Schinus molle) essential oil (CS-EO) bionanocomposites were synthesized by nanoprecipitation method and the in vitro antifungal activity against Aspergillus parasiticus spores was evaluated. The shape and size were evaluated by scanning electron microscopy (SEM) an…
Combining the nonvolatile, locally switchable polarization field of a ferroelectric thin film with a nanoscale electronic material in a field effect transistor structure offers the opportunity to examine and control a rich variety of mesoscopic phenomena and interface coupling. It is also possible to introduce new pha…
Conventional straight fibers spun from carbon nanotubes have rather limited deformability; creating a spiral structure holds the promise to break this shape restriction and enhance structural flexibility. Here, we report up to one meter-length threads containing purely single-walled nanotubes twisted into spiral loops…
The new compartmental proligand 4-bromo-3,5-bis{6-(2,2'-bipyridyl)}pyrazole (HL(Br)) was synthesized and shown to form robust [2 × 2] grid complexes [Fe(II)4L(Br)4]X4 with various counteranions (X(-) = PF6(-), ClO4(-), BF4(-), Br(-)). The grid [Fe(II)4L(Br)4](4+) is stable in solution and features two high-spin (HS) a…
The combination of extraordinary strength and stiffness in conjunction with exceptional electronic and thermal properties in lightweight two-dimensional materials has propelled graphene research toward a wide array of applications including flexible electronics and functional structural components. Tailoring graphene'…
The paper presents research data of lipid peroxidation and lectin activity in wheat seedlings at seed treatment with solution of metal nanoparticles (Zn, Ag, Fe, Mn, Cu) and sole solution of copper nanoparticles under the high pathogen infection background of Pseudocercosporella herpotrichoides (Fron) Deighton (synony…
Graphene has been widely used to enhance the performance of energy storage devices due to its high conductivity, large surface area, and excellent mechanical flexibility. However, it is still unclear how graphene influences the electrochemical performance and reaction mechanisms of electrode materials. The single-nano…
The contact of blood with artificial materials generally leads to immediate protein adsorption (fouling), which mediates subsequent biological processes such as platelet adhesion and activation leading to thrombosis. Recent progress in the preparation of surfaces able to prevent protein fouling offers a potential aven…
The electronic structures of copper-doped CdSe nanocrystals (NCs) are investigated using time-dependent density functional theory. Comparison of the electronic structures of Cu + - and Cu 2+ -doped NCs indicates that only the Cu + ground state is consistent with the experimental absorption and photoluminescence (PL) s…
An unpretentious way to synthesize different sized gold nanoparticles (GNPs) using the dried fruit extract of Tribulus terrestris has been investigated. GNPs were formed due to the reduction of chloroauric acid (HAuCl4) treated with the T. terrestris fruit extract. Formation of GNPs was periodically characterized by U…
In this paper, we tried to describe a different method for producing BiI and BiOI thin films, which is chemical bath deposition on glass substrates. Structural and optical properties of BiI and BiOI thin films were examined using X-ray diffraction (XRD), scanning electron microscope (SEM), and UV-VIS measurements. Fil…
Transition metal (TM) catalytic dopants are broadly used in hydrogen storage materials to increase H 2 desorption and absorption kinetics. We have studied H vacancy formation energy in pure, Nb- or Zr- doped bulk magnesium hydride using density functional theory based calculations. The preferential dopant location was…
The standard two-temperature equations for electron-phonon coupled thermal transport across metal/nonmetal interfaces are modified to include the possible coupling between metal electrons with substrate phonons. The previous two-temperature molecular dynamics (TT-MD) approach is then extended to solve these equations…
A polymeric liquid crystalline film was fabricated by photo-induced diffusion and mesogenic phase structural transition of photopolymerisable acrylate monomer mixtures that presented phase transition between cholesteric (Ch) and smectic (SmA) phases. By controlling the curing temperature to be close to SmA–Ch phase tr…