Comment on "Toxicological relevance of emerging contaminants for drinking water quality" by M. Schriks, M.B. Heringa, M.M.E. van der Kooi, P. de Voogt and A.P. van Wezel [Water Research 44 (2010) 461-476]

This is the post-print version of the final paper published in Water Research. The published article is available from the link below. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. Copyright @ 2011 Elsevier B.V.No abstract available

Carrier-density effects in many-polaron systems

Many-polaron systems with finite charge-carrier density are often encountered experimentally. However, until recently, no satisfactory theoretical description of these systems was available even in the framework of simple models such as the one-dimensional spinless Holstein model considered here. In this work, previous results obtained using numerical as well as analytical approaches are reviewed from a unified perspective, focussing on spectral properties which reveal the nature of the quasiparticles in the system. In the adiabatic regime and for intermediate electron-phonon coupling, a carrier-density driven crossover from a polaronic to a rather metallic system takes place. Further insight into the effects due to changes in density is gained by calculating the phonon spectral function, and the fermion-fermion and fermion-lattice correlation functions. Finally, we provide strong evidence against the possibility of phase separation.Comment: 13 pages, 6 figures, accepted for publication in J. Phys.: Condens. Matter; final versio

Optical conductivity of polaronic charge carriers

The optical conductivity of charge carriers coupled to quantum phonons is studied in the framework of the one-dimensional spinless Holstein model. For one electron, variational diagonalisation yields exact results in the thermodynamic limit, whereas at finite carrier density analytical approximations based on previous work on single-particle spectral functions are obtained. Particular emphasis is put on deviations from weak-coupling, small-polaron or one-electron theories occurring at intermediate coupling and/or finite carrier density. The analytical results are in surprisingly good agreement with exact data, and exhibit the characteristic polaronic excitations observed in experiments on manganites.Comment: 23 pages, 11 figure

Two electrons on a hypersphere: a quasi-exactly solvable model

We show that the exact wave function for two electrons, interacting through a Coulomb potential but constrained to remain on the surface of a $\mathcal{D}$-sphere ($\mathcal{D} \ge 1$), is a polynomial in the interelectronic distance $u$ for a countably infinite set of values of the radius $R$. A selection of these radii, and the associated energies, are reported for ground and excited states on the singlet and triplet manifolds. We conclude that the $\mathcal{D}=3$ model bears the greatest similarity to normal physical systems.Comment: 4 pages, 0 figur

Interplay of charge and spin correlations in nickel perovskites

Analyzing the motion of low--spin $(s=1/2)$ holes in a high--spin $(S=1)$ background, we derive a sort of generalized t--J Hamiltonian for the $\rm NiO_2$ planes of Sr--doped nickelates. In addition to the rather complex carrier--spin and spin--spin couplings we take into account the coupling of the doped holes to in--plane oxygen breathing modes by a Holstein--type interaction term. Because of strong magnetic confinement effects the holes are nearly entirely prelocalized and the electron--phonon coupling becomes much more effective in forming polarons than in the isostructural cuprates. In the light of recent experiments on $\rm La_{2-x}Sr_xNiO_4$ we discuss how the variety of the observed transport and charge/spin--ordering phenomena can be qualitatively understood in terms of our model Hamiltonian.Comment: 2 pages, LTpaper.sty, Proc. XXI Int. Conf. on Low Temp. Phys. Prague 9

Invariance of the correlation energy at high density and large dimension in two-electron systems

We prove that, in the large-dimension limit, the high-density correlation energy \Ec of two opposite-spin electrons confined in a $D$-dimensional space and interacting {\em via} a Coulomb potential is given by \Ec \sim -1/(8D^2) for any radial confining potential $V(r)$. This result explains the observed similarity of \Ec in a variety of two-electron systems in three-dimensional space.Comment: 4 pages, 1 figure, to appear in Phys. Rev. Let

Sustainable Photopolymers in 3D Printing:A Review on Biobased, Biodegradable, and Recyclable Alternatives

The global market for 3D printing materials has grown exponentially in the last decade. Today, photopolymers claim almost half of the material sales worldwide. The lack of sustainable resins, applicable in vat photopolymerization that can compete with commercial materials, however, limits the widespread adoption of this technology. The development of “green” alternatives is of great importance in order to reduce the environmental impact of additive manufacturing. This paper reviews the recent evolutions in the field of sustainable photopolymers for 3D printing. It highlights the synthesis and application of biobased resin components, such as photocurable monomers and oligomers, as well as reinforcing agents derived from natural resources. In addition, the design of biologically degradable and recyclable thermoset products in vat photopolymerization is discussed. Together, those strategies will promote the accurate and waste-free production of a new generation of 3D materials for a sustainable plastics economy in the near future

The integrability of Lie-invariant geometric objects generated by ideals in the Grassmann algebra

We investigate closed ideals in the Grassmann algebra serving as bases of Lie-invariant geometric objects studied before by E. Cartan. Especially, the E. Cartan theory is enlarged for Lax integrable nonlinear dynamical systems to be treated in the frame work of the Wahlquist Estabrook prolongation structures on jet-manifolds and Cartan-Ehresmann connection theory on fibered spaces. General structure of integrable one-forms augmenting the two-forms associated with a closed ideal in the Grassmann algebra is studied in great detail. An effective Maurer-Cartan one-forms construction is suggested that is very useful for applications. As an example of application the developed Lie-invariant geometric object theory for the Burgers nonlinear dynamical system is considered having given rise to finding an explicit form of the associated Lax type representation

Phonon affected transport through molecular quantum dots

To describe the interaction of molecular vibrations with electrons at a quantum dot contacted to metallic leads, we extend an analytical approach that we previously developed for the many-polaron problem. Our scheme is based on an incomplete variational Lang-Firsov transformation, combined with a perturbative calculation of the electron-phonon self-energy in the framework of generalised Matsubara functions. This allows us to describe the system at weak to strong coupling and intermediate to large phonon frequencies. We present results for the quantum dot spectral function and for the kinetic coefficient that characterises the electron transport through the dot. With these results we critically examine the strengths and limitations of our approach, and discuss the properties of the molecular quantum dot in the context of polaron physics. We place particular emphasis on the importance of corrections to the concept of an antiadiabatic dot polaron suggested by the complete Lang-Firsov transformation.Comment: 30 pages, 15 figures, revised version including new figure