To take advantage of the synergistic effects of Pt and Zr, a kind of Zr-doped, Pt-modified aluminide coating has been prepared by a hybrid process, first electroplating a Pt layer and then co-depositing Zr and Al elements by an above-the-pack process. The microstructure and isothermal oxidation behavior of the coating has been studied, using a Pt-modified aluminide coating as a reference. Resul...

Our recent investigations represent an attempt to the self-consistent description of exotic phenomena in neutron–rich A∼100 nuclei [1, 2] within the complex Excited Vampir variational model with symmetry projection before variation using a realistic effective interaction in a large model space. The triple shape coexistence and the shape evolution in the N=58 Sr and Zr isotopes, the shape evolut...

The title compound, [Zr₃(C₅H₅)₆Cl₂O₂], exists as discrete mol-ecules possessing a series of three Cp(2)Zr units (Cp is cyclo-penta-dien-yl) bridged by oxide ligands and end-capped by chloride ligands. The Cp planes in the central and terminal zirconocene units form dihedral angles of 53.3 (2) and 53.5 (2)°, respectively. The two Zr-O-Zr bridge angles are nearly linear and form a planar Zr₃O₂ co...

Abstract First-principle calculations are performed to investigate Y substitutional defects at ground state and 1000 K, for Ba- Zr-rich chemical environments. In dependence on the Fermi level, singly positively charged may be potentially stable Ba site ( <mml:mi ...

Density functional theory calculations and 2D 1H-13C HETCOR solid state NMR spectroscopy prove that CO2 can be used to probe, by its own reactivity, different types of N-donor surface ligands on SBA15-supported Zr(IV) hydrides: [≡(Si-O-)(≡Si-N=)[Zr]H] and [≡(Si-NH-)(≡Si-X-)[Zr]H2] (X=O or NH). Moreover, [≡(Si–O-)(≡Si-N=)[Zr]H] activates CO2 more efficiently than the other complexes and leads to...

For infinitely many primes p = 4k+1 we give a slightly improved upper bound for the maximal cardinality of a set B ⊂ Zp such that the difference set B−B contains only quadratic residues. Namely, instead of the ”trivial” bound |B| ≤ √p we prove |B| ≤ √ p − 1, under suitable conditions on p. The new bound is valid for approximately three quarters of the primes p = 4k + 1.

The synthesis and characterization of new zirconium permethylpentalene (form)amidinate complexes are described: Pn*Zr{N(Dipp)2CH}Cl (1), Pn* = ?8-C8Me6 Dipp 2,6-iPr-C6H3; [Pn*Zr{N(p-tol)2CH}Cl]2 (2), p-tol 4-Me-C6H4; [Pn*Zr{N(iPr)2CMe}Cl]2 (3); Pn*Zr{N(iPr)2CPh}Cl (4); Pn*Zr{N(4-Me-C6H4)2CH}2 (5); [Pn*Zr{N(iPr)2CCH2}]2 (6); Pn*Zr{N(iPr)2CPh}(O-2,6,-Me-C6H3) (7). monohalide derivatives 1–4 demon...

The silylmethylene-linked triamidophosphine P(CH2SiMe2NHPh)3 was isolated in form of its tri-lithium salt Li3[P(CH2SiMe2NPh)3]·2.5Et2O (1·2.5Et2O) and employed for the synthesis of titanium and zirconium complexes. Starting from 1·2.5Et2O, the chlorido complexes [κ(4)-N,N,N,P-PN3]MCl (4-M, M = Ti, Zr) were prepared and examined with respect to alkylation. Upon reaction of 4-Ti with (trimethylsi...

In this study, the microstructure, mechanical properties, corrosion behaviors, and in vitro biocompatibility of Zr-Mo alloys as a function of Mo content after solution treatment were systemically investigated to assess their potential use in biomedical application. The experimental results indicated that Zr-1Mo alloy mainly consisted of an acicular structure of α' phase, while ω phase formed in...

The heterostructures of five monolayers B1-Ti x Zr1-x N(111), x = 1.0, 0.6, 0.4 and 0.0 (where B1 is a NaCl-type structure) with one monolayer of a Si3N4-like Si2N3 interfacial layer were investigated by means of first-principles quantum molecular dynamics and a structure optimization procedure using the Quantum ESPRESSO code. Slabs consisting of stoichiometric TiN and ZrN and random, as well a...