Search results for "Valence"

Mixed-Valence Defect Ferrites : a New Family of Fine Powders and Thin Films of Spinel Ferrites

1997

When highly divided spinel ferrites become reactive enough with oxygen, to allow the oxidation of the Fe 2+ ions at low temperature and of substitute cations too, when these cations are capable of different valence states. We prepared fine particles of spinel ferrites substituted by Mn, Mo, Cu, by chimie douce, especially from oxalate precursors and used them to reveal and to study the oxido-reduction phenomena occurring in these finely divided materials. It was shown that the oxidation created a new family of spinel ferrites : the mixed-valence defect ferrites, having specific characteristics and properties. The ferrites of this type can be fine powders prepared at low temperature, or grou…

Local Bonding Influence on the Band Edge and Band Gap Formation in Quaternary Chalcopyrites

2017

Quaternary chalcopyrites have shown to exhibit tunable band gaps with changing anion composition. Inspired by these observations, the underlying structural and electronic considerations are investigated using a combination of experimentally obtained structural data, molecular orbital considerations, and density functional theory. Within the solid solution Cu2ZnGeS4-x Se x , the anion bond alteration parameter changes, showing larger bond lengths for metal-selenium than for metal-sulfur bonds. The changing bonding interaction directly influences the valence and conduction band edges, which result from antibonding Cu-anion and Ge-anion interactions, respectively. The knowledge of the underlyi…

Synthesis by solution combustion of inorganic blue pigments MFe2(P2O7)2: Influence of the cation M (Zn2+, Co2+, Cu2+, and Mg2+) on their optical prop…

2020

Abstract The aim of this work is to find the effect of the cation M (Zn2+, Co2+, Cu2+, and Mg2+) on the optical properties of MFe2(P2O7)2 synthesized by solution combustion. The crystal structure of the powders was determined by X-ray diffraction (XRD), Infrared spectroscopy (IR), and Raman spectroscopy. The presence of Fe2+ and Fe3+ ions in the pigments was studied using Mossbauer spectroscopy (MS), these spectra showed at 298 K three well-defined Mossbauer doublets belonging to octahedral S1 site and S3 site of Fe3+ and trigonal prismatic S2 site of Fe2+, confirming the formation of ZnFe2(P2O7)2, CoFe2(P2O7)2 and MgFe2(P2O7)2 structures, while in CuFe2(P2O7)2 there is no presence of trigo…

Isolation of a perfectly linear uranium(II) metallocene

2020

Reduction of the uranium(III) metallocene [(eta(5)-(C5Pr5)-Pr-i)(2)UI] (1) with potassium graphite produces the "second-generation" uranocene [(eta(5)-(C5Pr5)-Pr-i)(2)U] (2), which contains uranium in the formal divalent oxidation state. The geometry of 2 is that of a perfectly linear bis(cyclopentadienyl) sandwich complex, with the ground-state valence electron configuration of uranium(II) revealed by electronic spectroscopy and density functional theory to be 5f(3) 6d(1). Appreciable covalent contributions to the metal-ligand bonds were determined from a computational study of 2, including participation from the uranium 5f and 6d orbitals. Whereas three unpaired electrons in 2 occupy orbi…

O-Doped Nanographenes: A Pyrano/Pyrylium Route Towards Semiconducting Cationic Mixed-Valence Complexes

2020

Herein we report an efficient synthesis to prepare O‐doped nanographenes, which derive from the longitudinally and latitudinally p‐extension of pyrene. The derivatives are highly fluorescent and feature low‐oxidation potentials. Exploiting electrooxidation, crystals of cationic mixed valence (MV) complexes were grown in which the organic salts organize into face‐to‐face p‐ p stacks, a favorable solid‐state arrangement for organic electronics. Variable‐temperature EPR measurements and relaxation studies suggest a strong electron delocalization along the longitudinal axis of the columnar p‐stacking architectures. Electric measurements of single crystals of the MV salts exhibited a semiconduct…

Symmetry reduction of a model in spherical symmetry for benign tumor

2004

A PDEs system, describing the expansive growth of a benign tumor and the phe- nomenon of encapsulation, is studied via a group analysis approach. A weak equiv- alence classi¯cation is obtained and the original PDEs system is reduced to an ODEs system. Numerical simulations are performed both for ODEs and PDEs, which turn out to be in perfect agreement between each other, showing a realistic enough description of the biological process.

Equivalence Revisited: Polish Perspectives on the Topic

2019

An Analysis of Bilevel Linear Programming Solving Parameters Based on Factoraggregation Approach

2013

We introduce the notion of factoraggregation,which is a special construction of general aggregation operators, and apply it for an analysis of optimal solution parameters for bilevel linear programming problems. The aggregation observes lower level objective functions considering the classes of equivalence generated by an objective function on the upper level. The proposed method is illustrated with numerical and graphical examples.

A choice of bilevel linear programming solving parameters: factoraggregation approach

2013

Our paper deals with the problem of choosing correct parameters for the bilevel linear program- ming solving algorithm proposed by M. Sakawa and I. Nishizaki. We suggest an approach based on fac- toraggregation, which is a specially designed general aggregation operator. The idea of factoraggregation arises from factorization by the equivalence relation generated by the upper level objective function. We prove several important properties of the factorag- gregation result regarding the analysis of param- eters in order to find an optimal solution for the problem. We illustrate the proposed method with some numerical and graphical examples, in particu- lar we consider a modification of the m…

Conformal equivalence of visual metrics in pseudoconvex domains

2017

We refine estimates introduced by Balogh and Bonk, to show that the boundary extensions of isometries between smooth strongly pseudoconvex domains in $\C^n$ are conformal with respect to the sub-Riemannian metric induced by the Levi form. As a corollary we obtain an alternative proof of a result of Fefferman on smooth extensions of biholomorphic mappings between pseudoconvex domains. The proofs are inspired by Mostow's proof of his rigidity theorem and are based on the asymptotic hyperbolic character of the Kobayashi or Bergman metrics and on the Bonk-Schramm hyperbolic fillings.