Electronic structure and magnetism in the frustrated antiferromagnet LiCrO2

LiCrO2 is a 2D triangular antiferromagnet, isostructural with the common battery material LiCoO2 and a well-known Jahn-Teller antiferromagnet NaNiO2. As opposed to the latter, LiCrO2 exibits antiferromagnetic exchange in Cr planes, which has been ascribed to direct Cr-Cr d-d overlap. Using LDA and LDA+U first principles calculations I confirm this conjecture and show that (a) direct d-d overlap is indeed enhanced compared to isostructural Ni and Cr compounds, (b) p-d charge transfer gap is also enhanced, thus suppressing the ferromagnetic superexchange, (c) the calculated magnetic Hamiltonian maps well onto the nearest neighbors Heisenberg exchange model and (d) interplanar inteaction is antiferromagnetic.Comment: 5 pages, 4 figure

Sensitivity of freshwater periphytic diatoms to agricultural herbicides

The biomonitoring of pesticide pollution in streams and rivers using algae such as diatoms remains difficult. The responses of diatomcommunities to toxic stress in streamwater are disturbed by the variations of environmental parameters. In this study, periphytic algae collected in situwere exposed under controlled conditions to two major herbicides used in French agriculture (isoproturon and s-metolachlor). Three exposure regimes were tested: 5 and 30gL−1 for 6 days and 30gL−1 for 3 days followed by a recovery period of 3 days. The algal biomasses were assessed from pigment concentrations (chlorophyll a and c) and from live cell density. The highest concentration (30gL−1) of isoproturon inhibited the biomass increase statistically significantly. In periphyton exposed to 5 and 30gL−1 of s-metolachlor, chlorophyll c concentration and live cell densitywere also statistically significantly lower than in the control. Periphyton left to recover after reduced exposure duration (3 days) showed higher growth rates after treatment with s-metolachlor than with isoproturon. Taxonomic identifications showed that species like Melosira varians, Nitzschia dissipata and Cocconeis placentula were not affected by the herbicide exposure. Other species like Eolimna minima and Navicula reichardtiana were more sensitive. Studying diatoms according to their trophic mode showed that facultative heterotroph specieswere statistically significantly favoured by isoproturon exposure at the highest concentration. Results obtained with s-metolachlor exposure showed a disturbance of cell multiplication rather than that of photosynthesis. These results suggest that photosynthesis inhibitors like isoproturon favour species able to survive when the autotroph mode is inhibited

Competitive adsorption of phenolic compounds from aqueous solution using sludge‐based activated carbon.

Preparation of activated carbon from sewage sludge is a promising approach to produce cheap and efficient adsorbent for pollutants removal as well as to dispose of sewage sludge. The first objective of this study was to investigate the physical and chemical properties (BET surface area, ash and elemental content, surface functional groups by Boehm titration and weight loss by thermogravimetric analysis) of the sludge‐based activated carbon (SBAC) so as to give a basic understanding of its structure and to compare to those of two commercial activated carbons, PICA S23 and F22. The second and main objective was to evaluate the performance of SBAC for single and competitive adsorption of four substituted phenols (p‐nitrophenol, p‐chlorophenol, p‐hydroxy benzoic acid and phenol) from their aqueous solutions. The results indicated that, despite moderate micropore and mesopore surface areas, SBAC had remarkable adsorption capacity for phenols, though less than PICA carbons. Uptake of the phenolic compound was found to be dependent on both the porosity and surface chemistry of the carbons. Furthermore, the electronegativity and the hydrophobicity of the adsorbate have significant influence on the adsorption capacity. The Langmuir and Freundlich models were used for the mathematical description of the adsorption equilibrium for single‐solute isotherms. Moreover, the Langmuir–Freundlich model gave satisfactory results for describing multicomponent system isotherms. The capacity of the studied activated carbons to adsorb phenols from a multi‐solute system was in the following order: p‐nitrophenol > p‐chlorophenol > PHBA > phenol

Achievement Goal Promotion at University: Social Desirability and Social Utility of Mastery and Performance Goals

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Orbital frustration at the origin of the magnetic behavior in LiNiO2

We report on the ESR, magnetization and magnetic susceptibility measurements performed over a large temperature range, from 1.5 to 750 K, on high-quality stoichiometric LiNiO2. We find that this compound displays two distinct temperature regions where its magnetic behavior is anomalous. With the help of a statistical model based on the Kugel'-Khomskii Hamiltonian, we show that below T_of ~ 400 K, an orbitally-frustrated state characteristic of the triangular lattice is established. This then gives a solution to the long-standing controversial problem of the magnetic behavior in LiNiO2.Comment: 5 pages, 5 figures, RevTex, accepted in PR

Corporate voluntary greenhouse gas reporting: stakeholder pressure and the mediating role of the chief executive officer

The study sheds light on the extent to which various stakeholder pressures influence voluntary disclosure of greenhouse gas (GHG) emissions and how the impact is explained and moderated Chief executive office (CEO) characteristics of 215 FTSE350 listed United Kingdom (UK) companies for the year 2011. The study developed a classification of GHG emission disclosure based on the guidelines of GHG Protocol, DEFRA and Global Framework for Climate Risk Disclosure using content analysis. Evidence from the study suggests that some stakeholder pressure (regulatory, creditor, supplier, customer, board control) positively impacts on GHG disclosure information by firms. We found stakeholder pressure in the form of regulatory, mimetic and shareholders pressure positively influenced the disclosure of GHG information. We also found creditor pressure also had a significant negative relationship with GHG disclosure. While CEO age had a direct negative effect on GHG voluntary disclosure, its moderation effect on stakeholder pressure influence on GHG disclosure was only significant on regulatory pressure

Magnetic and Metal-Insulator Transitions in beta-Na0.5CoO2 and gamma-K0.5CoO2 -NMR and Neutron Diffraction Studies-

Co-oxides beta-Na0.5CoO2 and gamma-K0.5CoO2 have been prepared by the Na de-intercalation from alpha-NaCoO2 and by the floating-zone method, respectively. It has been found that successive phase transitions take place at temperatures Tc1 and Tc2 in both systems. The appearance of the internal magnetic field at Tc1 with decreasing temperature T indicates that the antiferromagnetic order exists at T < Tc1, as in gamma-Na0.5CoO2. For beta-Na0.5CoO2, the transition temperatures and the NMR parameters determined from the data taken for magnetically ordered state are similar to those of gamma-Na0.5CoO2, indicating that the difference of the stacking ways of the CoO2 layers between these systems do not significantly affect their physical properties. For gamma-K0.5CoO2, the quantitative difference of the physical quantities are found from those of beta- and gamma-Na0.5CoO2. The difference between the values of Tci (i = 1 and 2) of these systems might be explained by considering the distance between CoO2 layers.Comment: 8 pages, 14 figures, 1 Tabl

Ultrasound to Enhance a Liquid–Liquid Reaction

Liquid–liquid mass transfer with ultrasound was investigated experimentally during the hydrolysis of n-amyl acetate. Power ultrasound is supposed to improve the yield and kinetics of such multiphase chemical reactions thanks to the mechanical effects of cavitation. Indeed, implosion of micro-bubbles at the vicinity of the liquid– liquid interface generates disruption of this surface, and enhances mixing in the liquid around the inclusion, thus improving mass transfer between the two phases. This effect has been demonstrated here on the hydrolysis of n-amyl acetate by sodium hydroxide, a rather slow reaction but influenced by mass transfer; the reaction is carried out in a glass jacketed reactor, 500 mL of volume, equipped with a Rushton turbine and a 20 kHz sonotrode dipping in the solution. The ester is initially pure in the organic dispersed phase, and sodium hydroxide has an initial concentration of 300 mol/m3; one of the products, pentanol partitions between the two phases and the sodium salt stays in the aqueous phase. The initial apparent reaction rate is measured from the record of the conductivity giving the concentration of alkali versus time. The reaction rate was always found to increase when ultrasound is superimposed to mechanical stirring (at 600 rpm), with a positive influence of input power (20 and 50 W). When varying initial concentration (300 and 600 mol/m3), temperature (36 and 45°C) and ultrasound emitter (sonotrode or cuphorn), the benefit of ultrasound over mechanical agitation was systematic. The only case of a weak influence of ultrasound was the sonication of a dense medium, containing 23% of organic phase and impeding the propagation of ultrasound