Search results for "Catalysis"
showing 10 items of 5944 documents
Chemical Vapor Deposition Synthesis and Terahertz Photoconductivity of Low-Band-Gap N = 9 Armchair Graphene Nanoribbons.
2017
Recent advances in bottom-up synthesis of atomically defined graphene nanoribbons (GNRs) with various microstructures and properties have demonstrated their promise in electronic and optoelectronic devices. Here we synthesized N = 9 armchair graphene nanoribbons (9-AGNRs) with a low optical band gap of ∼1.0 eV and extended absorption into the infrared range by an efficient chemical vapor deposition process. Time-resolved terahertz spectroscopy was employed to characterize the photoconductivity in 9-AGNRs and revealed their high intrinsic charge-carrier mobility of approximately 350 cm2·V-1·s-1.
Screening the bulk properties and reducibility of Fe-doped Mn2O3 from first principles calculations
2017
Abstract Manganese oxides, particularly Mn 2 O 3 , have demonstrated great potential for oxygen carrier materials in chemical looping applications. The application of these materials in the industrial scale is hindered by thermodynamic restrictions related to the reoxidation process. This disadvantage can be overcome by doping the oxide with a guest cation. Iron is one of the most promising dopants, but the atomic-level understanding of its effects on the properties of α-Mn 2 O 3 is incomplete. Herein, we report a systematic GGA+U study of the bulk properties and reducibility of Fe x Mn 2-x O 3 (0 ≤ x ≤ 2) as a function of Fe dopant concentration. In particular, we focus on a representative…
Effect of linker distribution in the photocatalytic activity of multivariate mesoporous crystals
2021
The use of Metal-Organic Frameworks as crystalline matrices for the synthesis of multiple component or multivariate solids by the combination of different linkers into a single material has emerged as a versatile route to tailor the properties of single-component phases or even access new functions. This approach is particularly relevant for Zr6-MOFs due to the synthetic flexibility of this inorganic node. However, the majority of materials are isolated as polycrystalline solids, which are not ideal to decipher the spatial arrangement of parent and exchanged linkers for the formation of homogeneous structures or heterogeneous domains across the solid. Here we use high-throughput methodologi…
Electron delocalization in mixed-valence Keggin polyoxometalates. Ab initio calculation of the local effective transfer integrals and its consequence…
2002
We present a quantitative evaluation of the influence of the electron transfer on the magnetic properties of mixed-valence polyoxometalates reduced by two electrons. For that purpose, we extract from valence-spectroscopy ab initio calculations on embedded fragments the value of the transfer integrals between W nearest-neighbor atoms in a mixed-valence alphaPW(12)O(40) polyoxowolframate Keggin anion. In contradiction with what is usually assumed, we show that the electron transfer between edge-sharing and corner-sharing WO(6) octahedra have very close values. Considering fragments of various ranges, we analyze the accuracy of calculations on fragments based on only two WO(5) pyramids which s…
CoOx catalysts supported on alumina and alumina-baria: influence of the support on the cobalt species and their activity in NO reduction by C3H6 in l…
2003
Abstract CoO x catalysts (Co 1 and 3 wt.%) were prepared by incipient-wetness impregnation of the supports, Al 2 O 3 and Al 2 O 3 (80 wt.%)-BaO (20 wt.%), and calcined at 500 and 800 °C. The samples were characterized by X-ray diffraction (XRD) and BET techniques. H 2 -temperature programmed reduction (TPR) and UV-Vis diffuse reflectance spectroscopy (DRS) spectra were recorded with the aim to identify the different Co species formed. The presence of Co 2+ species tetrahedrally and octahedrally coordinated appears strongly influenced by the nature of the support and the cobalt content. Co 3 O 4 particles were detected after calcination at 500 °C, a successive treatment at 800 °C promotes th…
A study of the behaviour of Pt supported on CeO2–ZrO2/Al2O3–BaO as NO storage–reduction catalyst for the treatment of lean burn engine emissions
2002
Abstract The behaviour of a Pt(1 wt.%) supported on CeO2–ZrO2(20 wt.%)/Al2O3(64 wt.%)–BaO(16 wt.%) as a novel NOx storage–reduction catalyst is studied by reactivity tests and DRIFT experiments and compared with that of Pt(1%)–BaO(15 wt.%) on alumina. The former catalyst, designed as a hydrothermally stable sample, is composed of an alumina modified with Ba ions and an overlayer of ceria-zirconia. The results pointed out that during the calcination barium ions migrates over the surface of the catalyst which thus show a good NOx storage–reduction behaviour comparable with that of Pt–BaO on alumina, although Ba ions result much better dispersed.
Thermal stability, structural properties and catalytic activity of Pd catalysts supported on Al2O3–CeO2–BaO mixed oxides prepared by sol–gel method
2003
Abstract Al2O3–CeO2–BaO oxides with constant Al/Ba mass ratio and increasing cerium content were prepared, using the sol–gel procedure, and calcined at 1000 °C for 5 h. The influence of barium oxide on the thermal stability and on the morphological and structural properties of the corresponding supports, in terms of increasing surface area of alumina and ceria dispersion, was studied. The corresponding Pd (1 wt.%) catalysts were prepared by a stepwise impregnation method with a solution of palladium acetylacetonate in benzene. Palladium was introduced in two sequential steps by impregnation 0.5 wt.% of Pd each time. The structural and textural properties of the materials were studied by X-r…
On thermal behaviour of DMC catalysts for ring opening polymerization of epoxides
2016
Abstract The thermoanalytical studies of two types of the double metal cyanide catalysts were carried out. The identity of the catalysts was characterized by an elemental analysis and FTIR. The thermoanalytical examinations performed with the use of TG-DSC, EGA-FTIR, EGA-MS shed new light on views of the bonding of the ligands in the DMC. The chemical justification of the processes responsible for the TG/DSC steps was proposed. Several organic ligand complexing states were found in both types of catalysts. The ligand-DMC bondings were decomposing stepwise in relatively low temperature ranges, which could suggest their negligible role at catalytic reaction being performed usually at higher t…
A convenient route for the preparation of the monohydride catalyst trans-[RuCl(H)(dppe)2] (dppe=Ph2PCH2CH2PPh2): improved synthesis and crystal struc…
2013
Abstract A novel and improved room temperature synthesis of the monohydride catalyst trans-[RuCl(H)(dppe)2] complex (1, dppe (1,2-bis(diphenylphosphino)ethane) = Ph2PCH2CH2PPh2) proceeds through oxidation of methanol (the solvent) by the pentacoordinated cis-[RuCl(dppe)2][PF6] complex and t-BuOK as the base is described. Compound 1 was fully characterized by NMR (1H, 13C, 31P), ESI-MS(TOF +), FTIR and elemental analysis. The X-ray structure of 1 was reported for the first time and unambiguously confirms the trans-configuration of the complex.
The selective synthesis of metallanucleosides and metallanucleotides: a new tool for the functionalization of nucleic acids.
2012
Nucleobases team up: the efficient and selective preparation of purine-derived metallanucleosides, metallanucleotides, and metalladinucleotides having M-C bonds (M=Ir(III), Rh(III)) is reported for the first time. The results presented may be applied to the synthesis of functionalized nucleic acids, or DNA/RNA-modified segments.