Browsing by Subject "Tungsten compounds"
Now showing 1 - 4 of 4
Results Per Page
Sort Options
Item Open Access Anisotropic electronic, mechanical, and optical properties of monolayer WTe2(American Institute of Physics Inc., 2016) Torun, E.; Sahin, H.; Cahangirov, S.; Rubio, A.; Peeters, F. M.Using first-principles calculations, we investigate the electronic, mechanical, and optical properties of monolayer WTe2. Atomic structure and ground state properties of monolayer WTe2 (Td phase) are anisotropic which are in contrast to similar monolayer crystals of transition metal dichalcogenides, such as MoS2, WS2, MoSe2, WSe2, and MoTe2, which crystallize in the H-phase. We find that the Poisson ratio and the in-plane stiffness is direction dependent due to the symmetry breaking induced by the dimerization of the W atoms along one of the lattice directions of the compound. Since the semimetallic behavior of the Td phase originates from this W-W interaction (along the a crystallographic direction), tensile strain along the dimer direction leads to a semimetal to semiconductor transition after 1% strain. By solving the Bethe-Salpeter equation on top of single shot G0W0 calculations, we predict that the absorption spectrum of Td-WTe2 monolayer is strongly direction dependent and tunable by tensile strain.Item Open Access Chiral ceramic nanoparticles and peptide catalysis(American Chemical Society, 2017) Jiang S.; Chekini, M.; Qu, Z.-B.; Wang Y.; Yeltik A.; Liu, Y.; Kotlyar, A.; Zhang, T.; Li, B.; Demir, Hilmi Volkan; Kotov, N. A.The chirality of nanoparticles (NPs) and their assemblies has been investigated predominantly for noble metals and II-VI semiconductors. However, ceramic NPs represent the majority of nanoscale materials in nature. The robustness and other innate properties of ceramics offer technological opportunities in catalysis, biomedical sciences, and optics. Here we report the preparation of chiral ceramic NPs, as represented by tungsten oxide hydrate, WO3-x·H2O, dispersed in ethanol. The chirality of the metal oxide core, with an average size of ca. 1.6 nm, is imparted by proline (Pro) and aspartic acid (Asp) ligands via bio-to-nano chirality transfer. The amino acids are attached to the NP surface through C-O-W linkages formed from dissociated carboxyl groups and through amino groups weakly coordinated to the NP surface. Surprisingly, the dominant circular dichroism bands for NPs coated by Pro and Asp are different despite the similarity in the geometry of the NPs; they are positioned at 400-700 nm and 500-1100 nm for Pro- and Asp-modified NPs, respectively. The differences in the spectral positions of the main chiroptical band for the two types of NPs are associated with the molecular binding of the two amino acids to the NP surface; Asp has one additional C-O-W linkage compared to Pro, resulting in stronger distortion of the inorganic crystal lattice and greater intensity of CD bands associated with the chirality of the inorganic core. The chirality of WO3-x·H2O atomic structure is confirmed by atomistic molecular dynamics simulations. The proximity of the amino acids to the mineral surface is associated with the catalytic abilities of WO3-x·H2O NPs. We found that NPs facilitate formation of peptide bonds, leading to Asp-Asp and Asp-Pro dipeptides. The chiroptical activity, chemical reactivity, and biocompatibility of tungsten oxide create a unique combination of properties relevant to chiral optics, chemical technologies, and biomedicine.Item Open Access A complementary electrochromic device with highly improved performance based on brick-like hydrated tungsten trioxide film(American Scientific Publishers, 2012) Jiao, Z.; Wang, J.; Ke, L.; Sun, X. W.; Demir, Hilmi VolkanUniform and well adhesive nanostructured hydrated tungsten trioxide (3WO 3•H 2O) films were grown on fluorine doped tin oxide (FTO) substrate via a facile and template-free crystal-seed-assisted hydrothermal method by addition of ammonium sulfate ((NH 4) 2SO 4) and hydrogen peroxide (H 2O 2). X-ray diffraction (XRD) studies indicated that the films are of orthorhombic structure. Scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM) analysis showed that the film was composed of brick-like nanostructures with a preferred growing direction along (002). The influence of seed layer, (NH 4) 2SO 4 and H 2O 2 on the products were also studied. The film showed good cyclic stability, comparable switching speed and coloration efficiency (30.1 cm 2 C -1). A complementary electrochromic device based on the film and Prussian blue depicted highly improved color contrast, coloration/bleaching response (1.8 and 3.7 s respectively) and coloration efficiency (164.6 cm 2 C -1).Item Open Access Spectroscopic characterization of tungstated zirconia prepared by equilibrium adsorption from hydrogen peroxide solutions of tungsten(VI) precursors(2007) Kantcheva, M.; Koz, C.Two series of WO x /ZrO2 samples are prepared by equilibrium adsorption from H2O2 solutions at pH 1.8 containing two different precursor anions, [W2O3(O 2)4(H2O)2]2- and [H 2W12O40]6-. The starting material is amorphous zirconium oxyhydroxide. The maximum W densities obtained are larger than that reported in the literature for systems synthesized by the same method using aqueous non-peroxide solutions. In the case of the metatungstate precursor, this increase is attributed to the generation of additional anchoring sites by interaction between the amorphous support and H2O 2. The high uptake achieved when the peroxo complex is used as a precursor is a result of both the ZrO x (OH)4-2x -H 2O2 interaction and low nuclearity of the adsorbing anion. The materials are characterized by XRD, DR-UV-vis, Micro-Raman and FT-IR spectroscopy. The surface acidities of samples with identical W loading prepared by equilibrium adsorption from the [H2W12O 40]6--H2O2 system and by impregnation with aqueous solution of ammonium metatungstate are investigated by FT-IR spectroscopy of CO adsorbed at 80 K. © Springer Science+Business Media, LLC 2007.