Pulsed corona discharge for improving treatability of coking wastewater.

Coking wastewater (CW) contains toxic and macromolecular substances that inhibit biological treatment. The refractory compounds remaining in biologically treated coking wastewater (BTCW) provide chemical oxygen demand (COD) and color levels that make it unacceptable for reuse or disposal. Gas-phase pulsed corona discharge (PCD) utilizing mostly hydroxyl radicals and ozone as oxidants was applied to both raw coking wastewater (RCW) and BTCW wastewater as a supplemental treatment.

Pulsed Corona Discharge Induced Hydroxyl Radical Transfer Through the Gas-Liquid Interface.

The highly energetic electrons in non-thermal plasma generated by gas phase pulsed corona discharge (PCD) produce hydroxyl (OH) radicals via collision reactions with water molecules. Previous work has established that OH radicals are formed at the plasma-liquid interface, making it an important location for the oxidation of aqueous pollutants. Here, by contacting water as aerosol with PCD plasma, it is shown that OH radicals are produced on the gas side of the interface, and not in the liquid phase.

Corrigendum: Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O.

This corrects the article DOI: 10.1038/ncomms15944.

Emergent Berezinskii-Kosterlitz-Thouless Phase in Low-Dimensional Ferroelectrics.

Using first-principles-based simulations merging an effective Hamiltonian scheme with scaling, symmetry, and topological arguments, we find that an overlooked Berezinskii-Kosterlitz-Thouless (BKT) phase sustained by quasicontinuous symmetry emerges between the ferroelectric phase and the paraelectric one of BaTiO_{3} ultrathin film, being under tensile strain. Not only do these results provide an extension of BKT physics to the field of ferroelectrics, but they also unveil their nontrivial critical behavior in low dimensions.

Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O.

In light of directives around the world to eliminate toxic materials in various technologies, finding lead-free materials with high piezoelectric responses constitutes an important current scientific goal. As such, the recent discovery of a large electromechanical conversion near room temperature in (1-x)Ba(ZrTi)O-x(BaCa)TiO compounds has directed attention to understanding its origin. Here, we report the development of a large-scale atomistic scheme providing a microscopic insight into this technologically promising material.

On the origin of the great rigidity of self-assembled diphenylalanine nanotubes.

The elastic properties of the nanotubes of self-assembled aromatic dipeptide diphenylalanine are investigated by means of Raman spectroscopy and a mass-in-mass 1D model. Analysis of nanotubes' lattice vibrations reveals the essential contribution of the water in the nanochannel core of the tubes to the Young's modulus and high water mobility along the channel. Direct measurements of the Young's modulus performed by nanoindentation confirm the obtained results.

Topological Point Defects in Relaxor Ferroelectrics.

First-principles-based effective Hamiltonian simulations are used to reveal the hidden connection between topological defects (hedgehogs and antihedgehogs) and relaxor behavior. Such defects are discovered to predominantly lie at the border of polar nanoregions in both Ba(Zr_{0.5}Ti_{0.

Pulsed corona discharge oxidation of aqueous carbamazepine micropollutant.

The anti-epileptic drug carbamazepine (CBZ) receives growing attention due to slow biodegradation and inherent accumulation in the aquatic environment. The application of a gas-phase pulsed corona discharge (PCD) was investigated to remove CBZ from synthetic solutions and spiked wastewater effluent from a municipal wastewater treatment facility. The treated water was showered between high voltage (HV) wires and grounded plate electrodes, to which ultra-short HV pulses were applied.

Discovery of stable skyrmionic state in ferroelectric nanocomposites.

Non-coplanar swirling field textures, or skyrmions, are now widely recognized as objects of both fundamental interest and technological relevance. So far, skyrmions were amply investigated in magnets, where due to the presence of chiral interactions, these topological objects were found to be intrinsically stabilized. Ferroelectrics on the other hand, lacking such chiral interactions, were somewhat left aside in this quest.

Pulsed corona discharge oxidation of aqueous lignin: decomposition and aldehydes formation.

Lignin is the mass waste product of pulp and paper industry mostly incinerated for energy recovery. Lignin is, however, a substantial source of raw material for derivatives currently produced in costly wet oxidation processes. The pulsed corona discharge (PCD) for the first time was applied to lignin oxidation aiming a cost-effective environmentally friendly lignin removal and transformation to aldehydes.

Pulsed corona discharge: the role of ozone and hydroxyl radical in aqueous pollutants oxidation.

Ozone and hydroxyl radical are the most active oxidizing species in water treated with gas-phase pulsed corona discharge (PCD). The ratio of the species dependent on the gas phase composition and treated water contact surface was the objective for the experimental research undertaken for aqueous phenol (fast reaction) and oxalic acid (slow reaction) solutions. The experiments were carried out in the reactor, where aqueous solutions showered between electrodes were treated with 100-ns pulses of 20 kV voltage and 400 A current amplitude.

Oxidation of aqueous pharmaceuticals by pulsed corona discharge.

Oxidation of aromatic compounds of phenolic (paracetamol, beta-oestradiol and salicylic acid) and carboxylic (indomethacin and ibuprofen) structure used in pharmaceutics was studied. Aqueous solutions were treated with pulsed corona discharge (PCD) as a means for advanced oxidation. Pulse repetition frequency, delivered energy dose and oxidation media were the main parameters studied for their influence on the process energy efficiency.

Novel complex phenomena in ferroelectric nanocomposites.

A first-principles-based effective Hamiltonian is used to investigate finite-temperature properties of ferroelectric nanocomposites made of periodic arrays of ferroelectric nanowires embedded in a matrix formed by another ferroelectric material. Novel transitions and features related to flux-closure configurations are found. Examples include (i) a vortex core transition, that is characterized by the change of the vortex cores from being axisymmetric to exhibiting a 'broken symmetry'; (ii) translational mode of the vortex cores; (iii) striking zigzag dipolar chains along the vortex core axis; and (iv) phase-locking of ferroelectric vortices accompanied by ferroelectric antivortices.

A simple law governing coupled magnetic orders in perovskites.

An energetic expression containing four different macroscopic terms is proposed to explain and understand coupled magnetic orders (and the directions of the simultaneously occurring ferromagnetic and/or antiferromagnetic vectors) in terms of anti-phase and/or in-phase tilting of oxygen octahedra in magnetic and multiferroic perovskites. This expression is derived from a suggested simple microscopic formula, and has its roots in the Dzyaloshinsky-Moriya interaction. Comparison with data available in the literature and with first-principles calculations we conduct here confirms the validity of such a simple and general law for any tested structural paraelectric and even ferroelectric phase, and for any chosen direction of any selected primary magnetic vector.

Phase transitions in epitaxial (-110) BiFeO3 films from first principles.

The effect of misfit strain on properties of epitaxial BiFeO3 films that are grown along the pseudocubic [110] direction, rather than along the usual [001] direction, is predicted from density-functional theory. These films adopt the monoclinic Cc space group for compressive misfit strains smaller in magnitude than ≃1.6% and for any investigated tensile strain.

[Low-temperature sterilization for the surgical infection prophylaxis].

The comparative characteristic of the accepted methods of low-temperature sterilization of medical equipment is given. Special attention is devoted to the surgical infection prophylaxis. The efficacy, expediency and safety of gas sterilization with ethilenoxide is proved.

Critical behavior in ferroelectrics from first principles.

We report first-principles-based calculations, combined with an efficient Monte Carlo technique, that undoubtedly show that Pb(Zr0.5Ti0.5)O3, one of the most important ferroelectrics to date, adopts critical behavior that strongly deviates from the classical mean-field approach while being, in fact, consistent with the 3D-random Ising universality class.

High-pressure effect on PbTiO3: an investigation by Raman and x-ray scattering up to 63 GPa.

We report a room-temperature high-pressure x-ray and Raman scattering investigation of lead titanate (PbTiO3) up to 63 GPa. Three continuous phase transitions at 13, 20, and 45 GPa between tetragonal-like phases occur. As a result, no evidence is found for a pressure-induced morphotropic phase boundary.

Control of vortices by homogeneous fields in asymmetric ferroelectric and ferromagnetic rings.

Effective Hamiltonians have been used (i) to demonstrate that the shape asymmetry of ferromagnetic rings is essential to the recently discovered switching of the chirality of their vortices by homogeneous magnetic fields, via a transition into onion states; (ii) to reveal that an electric vortex can also be controlled by a homogeneous electric field in asymmetric ferroelectric nanorings, via the formation of antiferrotoroidic pair states rather than onion states; and (iii) to provide the fundamental reason that allows such control, namely, two new interaction energies involving a vector characterizing the asymmetry, the applied field, and the toroidal moment.

Finite-temperature properties of multiferroic BiFeO3.

An effective Hamiltonian scheme is developed to study finite-temperature properties of multiferroic BiFeO3. This approach reproduces very well (i) the symmetry of the ground state, (ii) the Néel and Curie temperatures, and (iii) the intrinsic magnetoelectric coefficients (that are very weak). This scheme also predicts (a) an overlooked phase above Tc approximately 1100 K that is associated with antiferrodistortive motions, as consistent with our additional x-ray diffractions, (b) improperlike dielectric features above Tc, and (c) that the ferroelectric transition is of first order with no group-subgroup relation between the paraelectric and polar phases.

Phase diagram of pb(Zr,Ti)O3 solid solutions from first principles.

A first-principles-derived scheme that incorporates ferroelectric and antiferrodistortive degrees of freedom is developed to study finite-temperature properties of Pb(Zr1-xTix)O3 solid solution near its morphotropic phase boundary. The use of this numerical technique (i) resolves controversies about the monoclinic ground state for some Ti compositions, (ii) leads to the discovery of an overlooked phase, and (iii) yields three multiphase points that are each associated with four phases. Additional neutron diffraction measurements strongly support some of these predictions.

Controlling toroidal moment by means of an inhomogeneous static field: an ab initio study.

A first-principles-based approach is used to show (i) that stress-free ferroelectric nanodots under open-circuit-like electrical boundary conditions maintain a vortex structure for their local dipoles when subject to a transverse inhomogeneous static electric field, and, more importantly, (ii) that such a field leads to the solution of a fundamental and technological challenge: namely, the efficient control of the direction of the macroscopic toroidal moment. The effects responsible for such striking features are revealed and discussed.

Electric-field-induced domain evolution in ferroelectric ultrathin films.

The electric-field-induced evolution of the recently discovered periodic 180 degree nanostripe domain structure is predicted in epitaxial Pb(Zr0.5Ti0.5)O3 ultrathin films from first principles.

Ferroelectricity of perovskites under pressure.

Ab initio simulations and experimental techniques are combined to reveal that, unlike what was commonly accepted for more than 30 years, perovskites and related materials enhance their ferroelectricity as hydrostatic pressure increases above a critical value. This unexpected high-pressure ferroelectricity is different in nature from conventional ferroelectricity because it is driven by an original electronic effect rather by long-range interactions.

Ultrathin films of ferroelectric solid solutions under a residual depolarizing field.

A first-principles-derived approach is developed to study the effects of depolarizing electric fields on the properties of Pb(Zr,Ti)O3 ultrathin films for different mechanical boundary conditions. A rich variety of ferroelectric phases and polarization patterns is found, depending on the interplay between strain and the amount of screening of surface charges. Examples include triclinic phases, monoclinic states with in-plane and/or out-of-plane components of the polarization, homogeneous and inhomogeneous tetragonal states, as well as peculiar laminar nanodomains.