Lanthanide tetrafluorobenzoates as emitters for OLEDs: New approach for host selection

Brightly luminescent and highly soluble lanthanide tetrafluorobenzoates, as well as their mixed ligand complexes, were synthesized and thoroughly characterized. The low charge carrier mobility hampered their use in OLED, but this problem was overcome by a thoughtful selection of host material. The organic molecules acted both as ligands in the complex and as the host material, leading to zero increase in the Stokes shift.     

Slow and fast pyrolysis of Douglas-fir lignin: Importance of liquid-intermediate formation on the distribution of products

The formation of liquid intermediates and the distribution of products were studied under slow and fast pyrolysis conditions. Results indicate that monomers are formed from lignin oligomeric products during secondary reactions, rather than directly from the native lignin. Lignin from Douglas-fir (Pseudotsuga menziesii) wood was extracted using the milled wood enzyme lignin isolation method. Slow pyrolysis using a microscope with hot-stage captured the liquid formation (>150 °C), shrinking, swelling (foaming), and evaporation behavior of lignin intermediates. The activation energy (E_a) for 5–80% conversions was 213 kJ mol⁻¹, and the pre-exponential factor (log A) was 24.34. Fast pyrolysis tests in a wire mesh reactor were conducted (300–650 °C). The formation of the liquid intermediate was visualized with a fast speed camera (250 Hz), showing the existence of three well defined steps: formation of lignin liquid intermediates, foaming and liquid intermediate swelling, and evaporation and droplet shrinking. GC/MS and UV-Fluorescence of the mesh reactor condensate revealed lignin oligomer formation but no mono-phenols were seen. An increase in pyrolytic lignin yield was observed as temperature increased. The molar mass determined by ESI-MS was not affected by pyrolysis temperature. SEM of the char showed a smooth surface with holes, evidence of a liquid intermediate with foaming; bursting from these foams could be responsible for the removal of lignin oligomers. Py-GC/MS studies showed the highest yield of guaiacol compounds at 450–550 °C.     

Reactive extrusion: A useful process to manufacture structurally modified PLA/o-MMT composites

In the present work, poly(lactic acid) (PLA) sheets reinforced with organically modified montmorillonite (o-MMT) were manufactured through reactive extrusion-calendering using a masterbatch approach in a pilot plant. Reaction monitoring analysis suggests the occurrence of premature reactions between o-MMT and the reactive agent; lowering further structural changes in the polymeric matrix. While calendered sheets exhibited a homogenous and preferential distribution of clay particles in MD, the coexistence of mixed structures, involving tactoids of various sizes as well as intercalated clay layers was observed. However, a higher and finer dispersion of o-MMT particles was achieved through clay–polymer tethering via chain extender molecules. Under tensile loading, the aforementioned clay dispersion enhanced multiple cavitation processes, notably improving PLA shear flow.     

Synthesis and photovoltaic properties of D-A copolymers based on alkylthio-thiophene or alkylthio-selenophene-BDT donor unit and DPP acceptor unit

Two new 2D-conjugated D-A copolymers, PBDTT-S-DPP and PBDTSe-S-DPP, based on benzodithiophene (BDT) donor unit with alkylthio-thiophene or alkylthio-selenophene conjugated side chains and 2,5-bis(2-butyloctyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione) (DPP) acceptor unit, were synthesized for the application as donor materials in polymer solar cells (PSCs). The two polymers were characterized by absorption spectroscopy, cyclic voltammetry, thermogravimetric analysis, theoretical calculation with density functional theory, X-ray diffraction and photovoltaic measurements. The results show that the alkylthio-thiophene/selenophene side groups on BDT unit and intramolecular hydrogen bonding interaction in DPP acceptor unit play important roles in affecting the absorption, HOMO energy levels, molecular planarity and the crystallinity of the polymers. The PSCs based on PBDTT-S-DPP or PBDTSe-S-DPP as donor and PC₇₁BM as acceptor demonstrate power conversion efficiency (PCE) of 5.62% and 5.01%, with relatively higher V_oc of 0.79 V and 0.76 V, respectively.     

Electrochemical polarization study on crude oil pipeline corrosion by the produced water with high salinity

The effects of chloride ion, temperature, pH value, CO₂ and O₂ on the corrosion induced leakage of the inner wall of crude oil pipeline with the produced water were investigated by electrochemical polarization. The results showed that chloride ion corrosion would gradually experience the smooth invariant stage, the slow rise stage, and the rapid rise stage which due to the chloride ion destroy the corrosion product film. The corrosion rate would reach a maximum when the temperature was 65 °C or the pH value was 3.5. O₂ was the dominant factor induced the increase of corrosion rate when compared with the effect of CO₂. Moreover, long term and periodic (30 consecutive days) electrochemical CO₂ corrosion tests suggested that the CO₂ corrosion rate reached a maximum at 4 days. The obtained results would facilitate the formulation of control measures for pipeline corrosion in the oil field.     

Atomistic tight-binding computations of the electronic properties of ZnSe/ZnS core/shell nanocrystals under applied electric field

The effect of applied electric field on the electronic properties of spherical ZnSe/ZnS core/shell nanocrystals of experimentally relevant size is investigated by the atomistic tight-binding theory. Using this model, the calculations show that a range of electronic properties, including the single-particle spectra, atomistic characters, charge densities, excitonic energies, ground-state coulomb energies, overlaps of the electron and hole wave functions and oscillation strengths, all depend on the strengths of the applied electric field. The spatial distributions of the electron and hole wave functions are induced by the applied electric field. The analysis demonstrates a clear manipulation of the electronic properties of ZnSe/ZnS core/shell nanocrystals by introducing and varying the applied electric field strengths. According to the comprehensive investigations, I suppose that these atomistic computations will be of prospective help for experimental works concentrated on the new optoelectronic devices based on the applied electric field.     

Effects of carbon fiber length on the tribological properties of paper-based friction materials

Four kinds of paper-based friction materials reinforced with carbon fibers of 100, 400, 600 and 800 μm were prepared by paper-making processes. Experimental results showed that the friction materials became porous with fiber length increasing. The friction torque curves were flat except the sample with 100 μm fibers. The wear rate of the sample with 100 μm fibers was only 1.40×10⁻⁵ mm³/J. Tiny debris and fine scratches formed in the worn surface were the reason for excellent wear resistance of friction pairs with 100 μm fibers. The friction pairs with 400, 600 and 800 μm fibers showed typically abrasive wear and fatigue wear.     

1,2-Dimethylimidazole based bromine complexing agents for vanadium bromine redox flow batteries

To stabilize bromine produced during a vanadium-bromine redox flow batteries (VBr RFBs) charging, a bromine complexing agent (BCA) should be effectively used as a supporting material in VBr electrolyte. However, there remains a problem of improving the unstable reversibility between V²⁺ and V³⁺ in electrolyte including halogen elements (Br and Cl). This paper describes two imidazole-based BCAs, which are 1,2-dimethyl-3-ethylimidazolium bromide (DMEIm: C₇H₁₃BrN₂) and 1,2-dimethyl-3-propylimidazolium bromide (DMPIm: C₈H₁₅BrN₂), for not only confirming the capture of bromine but also improving the redox reaction of vanadium ions in VBr electrolyte. The effectiveness of the proposed two imidazole-based BCAs is demonstrated through the following experiments: cyclic voltammetry (CV), nuclear magnetic resonance analysis (NMR), scanning electron microscopy (SEM) analysis and cyclic cell operation test. Experimental results show that both the diffusion coefficient and the peak currents of each electrolyte using the proposed imidazole-based BCAs increases linearly with the rise of scan rate on the recorded CV curves, providing improved reversible reaction of V²⁺/V³⁺ in negative electrolyte. It also exhibits that the electrolytes using the DMEIm and DMPIm provide significantly improved charge (discharge) capacities which are 9.38 (31.01) % and 11.8 (35.66) % higher than the pristine one, respectively, resulting in 13.27% and 14.36% higher current efficiencies. In addition, corrosion cracks on the separator surface due to bromine attack are not observed after the cyclic cell operation. Consequently, these results indicate that the proposed two imidazole-based BCAs can not only sequester bromine during the VBr RFB charging, but also enhance electrochemical reversibility caused by improving diffusion coefficient of vanadium.     

Effect of N and C on stress corrosion cracking susceptibility of austenitic Fe18Cr10Mn-based stainless steels

Stress corrosion cracking (SCC) susceptibility of austenitic Fe18Cr10Mn alloys with 0.3N, 0.6N and 0.3N0.3C was investigated in aqueous chloride environment using a slow strain rate test method. The SCC susceptibility of Fe18Cr10Mn alloys in 2 M NaCl solution at 50 °C under constant anodic potential condition decreased with increase in N content from 0.3 to 0.6 wt%, and with addition of 0.3 wt% C to the Fe18Cr10Mn0.3N alloys. The present study strongly suggested that the beneficial effects of N and C on the SCC behavior of Fe18Cr10Mn alloys would be associated with the resistance to pitting corrosion initiation and the repassivation kinetics.     

Structural,electronic, and magnetic properties of zigzag-edged BN nanoribbons with 558-type line defects

The 558-type line defect is introduced into zigzag-edged BN nanoribbons (ZBNNRs), similar to that be found in graphene, and the structural, electronic, and magnetic properties for such defective ZBNNRs are investigated systematically. It shows that they are highly stable. In the nonmagnetic state, the metallic property of ZBNNRs remains unchanged regardless of the defect positions, but different defect positions give rise to different influences on the total DOS and PDOS at the Fermi level. Interestingly, in the magnetic state, the thermal stability of magnetism is enhanced greatly when the line defect appears at most positions, even comparable with room temperature. When the line defect position shifts from the B-edge to the N-edge, the transition from the half-metal to the magnetic semiconductor or spin unpolarized semiconductor is induced. And also, the response of defect ribbons to an in-plane transverse electric field is essentially different from defect-free ribbons, and the half-metallic feature can be enhanced by an electric field for the line defect introduced into certain positions in a ribbon.