Materials Literature
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Selective substitution: In the oxidation of HCl with oxygen to give Cl2 and water, RuO2(110) serves as a stable, active model catalyst for the Sumitomo process (see picture; Ru in red and blue). The stability of the catalyst is related to the selective replacement of undercoordinated bridging surface O atoms (Obr) by…
Presence of spin polarized electrons was confirmed by observing anomalous Hall effect in a ferromagnetic semiconductor anatase Ti1−xCoxO2−δ up to 600K. The anomalous Hall resistivity exhibited apparent ferromagnetic hysteresis loop from 300to600K with insignificant change in the magnitude, indicating that the Curie te…
Systems exhibiting both spin and orbital degrees of freedom, of which Er3+ is one, can offer mechanisms for manipulating and measuring spin states via optical excitations. Motivated by the possibility of observing photoluminescence and electron paramagnetic resonance from the same species located within a fullerene mo…
We demonstrate how to overcome serious problems in understanding and classification of vibration spectra in semiconductor alloys, following from traditional use of the virtual crystal approximation (VCA). We show that such different systems as InGaAs (1-bond->1-mode behavior), InGaP (modified 2-mode) and ZnTeSe (2-bon…
Self-assembled patterns obtained from a drying nanosphere suspension are investigated by computer simulations and simple experiments. Motivated by the earlier experimental results of Sasaki and Hane and Schope, we confirm that more ordered triangular lattice structures can be obtained whenever a moderate intensity ran…
In a systematic study we investigate the effect of dopant level and hydration on the short-range structure of the proton conducting perovskite-type oxide BaIn_{x}Zr_{1-x}O_{3-x/2} (x = 0-0.75), using infrared and Raman spectroscopy. The results show that doping leads to significant local distortions of the average cub…
X-ray photoelectron emission microscopy in combination with x-ray magnetic circular dichroism is used to investigate the influence of an applied magnetic field on Néel caps (i.e., surface terminations of asymmetric Bloch walls). Self-assembled micron-sized Fe(110) dots displaying a moderate distribution of size and as…
This numerical study examines the importance of self-consistently accounting for transport and electrostatics in the calculaiton of semiconductor/metal Schottky contact resistivity. It is shown that ignoring such self-consistency results in significant under-estimation of the contact resistivity. An explicit numerical…
We review our recently developed methods for large-scale electronic structure calculations, both in one-electron theory and many-electron theory. The method are based on the density matrix representation, together with the Wannier state representation and the Krylov subspace method, in one-electron theory of a-few-ten…
We studied the dynamic magnetic properties of plane periodical arrays of circular permalloy nano-dots fabricated using a self-organized mask formed by polysterene nanospheres on the surface of a Permalloy film. Conventional (microwave cavity) and broadband coplanar-line ferromagnetic resonance setups were used for the…
Abstract The oxidation behaviour of Fe(II)Fe(III) hydroxysalt green rust (GR) compounds was investigated using XPS. Stoichiometric GR(CO 3 2− ), i.e. Fe(II) 4 Fe(III) 2 (OH) 12 CO 3 3H 2 O was prepared by co‐precipitating Fe(II) and Fe(III) ions in carbonate‐containing solution under an inert atmosphere. Fast oxidati…
This work reports on the electronic, magnetic, and structural properties of the binary intermetallic compounds ${\mathrm{Mn}}_{3\ensuremath{-}x}\mathrm{Ga}$. The tetragonal ${\mathrm{DO}}_{22}$ phase of the ${\mathrm{Mn}}_{3\ensuremath{-}x}\mathrm{Ga}$ series, with $x$ varying from 0 to 1.0 in steps of $x=0.1$, was su…
The conductance of metallic graphene nanoribbons (GNRs) with single defects and weak disorder at their edges is investigated in a tight-binding model. We find that a single edge defect will induce quasilocalized states and consequently cause zero-conductance dips. The center energies and breadths of such dips are stro…
We show that the manifestation of quantum interference in graphene is very different from that in conventional two-dimensional systems. Because of the chiral nature of charge carriers, it is not only sensitive to inelastic, phase-breaking scattering, but also to a number of elastic scattering processes. We study weak…
When a methanol reforming−membrane reactor is employed as a hydrogen generator for a proton exchange membrane fuel cell, we should simultaneously achieve three important aims in one process: methanol conversion improvement, high hydrogen recovery, and high CO removal efficiency. In this paper, the three important aims…
Abstract Surfaces of pure Ti before and after treatment with phosphoric acid and aminopropyl trimethoxysilane (APTMS) were analysed with XPS at normal emission and in angle‐resolved mode. In addition, three different excitation energies with increasing analysis depth were used, namely, Mg Kα, Al Kα and Ag Lα. The use…
A major obstacle to the implementation of spin-polarized semiconductor devices is the current absence of suitable room-temperature, soft ferromagnetic semiconductors (FSs). Dilute magnetic semiconductors are under intense study for applications in spintronics. However, the weak solubility of randomly placed magnetic i…
Abstract The changes in fibre–matrix interface during the heat treatment of Ti6Al4V matrix reinforced with carbon‐coated SiC fibres, have been studied using XPS, AES and SEM/EDS (energy dispersion spectroscopy) techniques. The samples were characterized before and after heating at different temperatures up to 600 °C w…
We investigate a strategy for producing organic NLO materials with high chromophore densities by assembling Langmuir monolayers and Langmuir–Blodgett films containing mixtures of two hyperpolarizable chromophore amphiphiles. When deposited at an air–water interface, the amphiphilic molecules are oriented with their mo…
The electropolymerization of benzene in the air and water-stable ionic liquid 1-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate (HMIm)FAP is investigated. The study comprises cyclic voltammetry, IR and in situ STM/tunnelling spectroscopy measurements. The IR results indicate that poly(para)phenylene…