Coaxial PANI/TiN/PANI nanotube arrays prepared by electrochemical polymerization of PANI on nanoporous TiN nanotube arrays exhibit a high specific capacitance of 242 mF cm(-2), excellent rate capability with the capacitance remaining at 69% when the current density is increased 50 times from 0.2 to 10 mA cm(-2), and a long cycling life with less than 0.005% decay per cycle.

We report the implementation of a fully relativistic time dependent density functional theory (TDDFT) method for carrying out x-ray absorption spectroscopy calculations for extended systems. This is the first time that a TDDFT simulation of x-ray absorption in extended systems has featured a full potential ground state calculation. We prove that this unusual feature of the TDDFT implementation ...

In the preceding paper we reported the discovery of a tin(1v) derivative obtained by intermolecular oxidative addition to an organotin(m) species.' In the present paper we give details of the synthesis of a tetra-alkenylchromium(1v) complex starting from a chromium(r1r) species, and of the analogous tin(1v) compound obtained from SnCI, by simple metathetical exchange. The X-ray data provide an ...

Ab initio computations are carried out to explore the structure and stability of FNgEF3 and FNgEF (E = Sn, Pb; Ng = Kr-Rn) compounds. They are the first reported systems to possess Ng-Sn and Ng-Pb bonds. Except for FKrEF3, the dissociations of FNgSnF3 and FNgEF, producing Ng and SnF4 or EF2, are only exergonic in nature at room temperature, whereas FNgPbF3 has a thermochemical instability with ...

To obtain a deeper understanding of the mechanism of plastic deformation and failure in superhard nanocomposites and heterostructures we studied, by means of the ab initio density functional theory, the stress-strain response and the change of the electronic structure during tensile and shear deformation of a prototype interfacial systems consisting of 1 monolayer SiN sandwiched between a few n...

The goal of the work is the research of formation mechanism of the spot resistance welds in the case of copper wires with nickel and tin coatings. The existing approaches for investigation of the formation mechanisms of welds of wires with and without coatings are analysed. A new approach for modeling of welding joint formation is offered. The analog model of the heat input during resistance we...

The ProB disprover uses constraint solving to find counterexamples for B proof obligations. As the ProB kernel is now capable of determining whether a search was exhaustive, one can also use the disprover as a prover. In this paper, we explain how ProB has been embedded as a prover into Rodin and Atelier B. Furthermore, we compare ProB with the standard automatic provers and SMT solvers used in...

Five new organotin(IV) complexes of 2-hydroxyacetophenone-2-methylphenylthiosemicarbazone [H(2)dampt, (1)] with formula [RSnCl(n-1)(dampt)] (where R = Me, n = 2 (2); R = Bu, n = 2 (3); R = Ph, n = 2 (4); R = Me(2), n = 1 (5); R = Ph(2), n = 1 (6)) have been synthesized by direct reaction of H(2)dampt (1) with organotin(IV) chloride(s) in absolute methanol. The ligand (1) and its organotin(IV) c...