Search results for "DF"
showing 10 items of 1699 documents
First principles calculations on CeO2 doped with Tb3+ ions
2019
This research was funded by the Latvian Council of Science (under the grant project lzp-2018/1-0147). Authors thank W. Chueh, J. Serra, R. Merkle, A. Popov for fruitful discussions.
Factors Controlling the Energy of Nitrogen Monolayer Coverage onHigh Surface Area Catalyst Oxide Carriers
2011
Factors affecting the strength of nitrogen physisorption at monolayer coverage on different catalytic oxide carriers (e.g., ZnO, MgO, Al2O3, ZrO2, TiO2, and SiO2) have been addressed. Isotherm elaboration by the two-parameter BET equation provides C-constant values (80–200) inversely related to the polarizing power (PP) of the oxide adsorbent irrespective of the surface area exposure. The energy of monolayer formation depends on the extent of charge-delocalization characterizing the surface cation-oxygen bond, which determines the acid–base character of the oxide and strength of van der Waals interactions with adsorbate molecules. Density functional theory (DFT) calculations on MgO and TiO2…
Advancements in Sustainable PVDF Copolymer Membrane Preparation Using Rhodiasolv® PolarClean As an Alternative Eco-Friendly Solvent
2021
In this work, Rhodiasolv® PolarClean was employed as a more sustainable solvent for the preparation of poly(vinylidene fluoride-hexafluoropropylene) (PVDF-HFP) flat sheet membranes via phase inversion technique by coupling vapour induced phase separation (VIPS) and non-solvent induced phase separation (NIPS) processes. Preliminary calculations based on Hansen solubility parameters well predicted the solubilization of the polymer in the selected solvent. The effect of exposure time on humidity and the influence of polyethylene glycol (PEG), polyvinyl pyrrolidone (PVP) and sulfonated polyether sulfone (S-PES) on membrane properties and performance, were evaluated. Three different coagulation …
Electrogeneration of Diiodoaurate in Dimethylsulfoxide on Gold Substrate and Localized Patterning
2016
International audience; A localized etching of gold surface by scanning electrochemical microscope technique is presented where a dimethylsulfoxide-based electrolyte charged with iodine is used. The electrogenerated triiodide ion at the platinum ultramicroelectrode tip (feedback mode) acts as an oxidant for gold surface. The effects of electrode diameter and the bias time have been investigated. The approach curve method was used to hold the electrode tip close to the gold surface. A scanning electron microscope is used to observe the etched gold surfaces where disk-shaped dots are generated. The diameter of these holes depends directly on the Pt electrode diameter and the bias time.
High spatial resolution mapping of individual and collective localized surface plasmon resonance modes of silver nanoparticle aggregates: correlation…
2015
Non-isolated nanoparticles show a plasmonic response that is governed by the localized surface plasmon resonance (LSPR) collective modes created by the nanoparticle aggregates. The individual and collective LSPR modes of silver nanoparticle aggregated by covalent binding by means of bifunctional molecular linkers are described in this study. Individual contributions to the collective modes are investigated at nanometer scale by means of energy-filtering transmission electron microscopy and compared to ultraviolet–visible spectroscopy. It is found that the aspect ratio and the shape of the clusters are the two main contributors to the low-energy collective modes.
Lithium ion conducting PVdF-HFP composite gel electrolytes based on N-methoxyethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)-imide ionic li…
2010
Blends of PVDF-HFP and ionic liquids (ILs) are interesting for application as electrolytes in plastic Li batteries. They combine the advantages of the gel polymer electrolytes (GPEs) swollen by conventional organic liquid electrolytes with the nonflammability, and high thermal and electrochemical stability of ILs. In this work we prepare and characterize PVDF-HFP composite membranes swollen with a solution of LiTFSI in ether-functionalized pyrrolidinium-imide (PYRA12O1). The membranes are filled in with two different types of silica: i) mesoporous SiO2 (SBA-15) and a commercial nano-size one (HiSilTM T700). The ionic conductivity and the electrochemical properties of the gel electrolytes ar…
Luminescence of Ce‐doped borate‐oxyfluoride glass ceramics
2007
In the present work we studied the possibility to obtain oxyfluoride glass ceramics based on a lithium and potassium borate glasses with addition of fluorides. Lithium-borate glasses without lanthanum fluoride are transparent up to 275 nm. In samples with LaF3 doped with Ce-activator, an additional absorption at about 300 nm and intense photoluminescence could be observed. Ce-doped potassium-borate glass with addition of fluorides LaF3, LiF and GdF3 was milky and not transparent, an intense photoluminescence has been observed, X-ray diffraction measurements showed a presence of well-pronounced crystalline phases of LiF as well as of GdBO3. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Spin state, electronic structure and bonding on C-scorpionate [Fe(II)Cl2(tpm)] catalyst: An experimental and computational study
2020
Abstract The Fe(II) spin state in the condensed phase of [Fe(II)Cl2(tpm)] (tpm = [tris(pyrazol-1-yl)methane]; 1) catalyst has been determined through a combined experimental and theoretical investigation of X-Ray Absorption Spectroscopy (XAS) at the FeL2,3-edges and NK-edge. Results indicated that in this phase a mixed singlet/triplet state is plausible. These results have been compared with the already know Fe singlet spin state of the same complex in water solution. A detailed analysis of the electronic structure and bonding mechanism of the catalyst showed that the preference for the low-spin diamagnetic ground state, strongly depends upon the ligands, the bulk solvent and the interactio…
Ambipolar MoS2 Transistors by Nanoscale Tailoring of Schottky Barrier Using Oxygen Plasma Functionalization
2017
One of the main challenges to exploit molybdenum disulfide (MoS2) potentialities for the next-generation complementary metal oxide semiconductor (CMOS) technology is the realization of p-type or ambipolar field-effect transistors (FETs). Hole transport in MoS2 FETs is typically hampered by the high Schottky barrier height (SBH) for holes at source/drain contacts, due to the Fermi level pinning close to the conduction band. In this work, we show that the SBH of multilayer MoS2 surface can be tailored at nanoscale using soft O-2 plasma treatments. The morphological, chemical, and electrical modifications of MoS2 surface under different plasma conditions were investigated by several microscopi…
Structural and Kinetic DFT Characterization of Materials to Rationalize Catalytic Performance
2009
This review shortly discusses recent results obtained by the application of density functional theory for the calculations of the adsorption and diffusion properties of small molecules and their reactivity on heterogenous catalytic systems, in the ambit of the Nanocat project. Particular focus has been devoted to palladium catalysts, either in atomic or small cluster form. Some protocols have been tested to obtain efficient ways able to treat the electronic and geometric influence of supports like zeolites and carbon nanotubes on the catalytic properties of palladium. The hydroisomerization of cis-but-2-ene is discussed as model reaction on supported and unsupported Pd clusters. Some prelim…