Effect of synthesis atmosphere on the proton conductivity of Y-doped barium zirconate solid electrolytes
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Gonçalves, M. D.↗
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Effect of confined space reduction of graphite oxide followed by sulfur doping on oxygen reduction reaction in neutral electrolyte
We thermally reduced graphite oxide within the confined space of commercial silica gel, and then removed the matrix. The modified graphite oxide was treated with hydrogen sulfide at 800 °C. The treatment applied results in a specific porous texture and high hydrophobicity of the surface. 3 at.% sulfur was introduced, mainly as thiophenic groups and sulfur in aromatic rings. The reduced GO and sulfur doped was evaluated as oxygen reduction catalysts in neutral electrolytes. Even though both materials show the strong catalytic activity, the results indicate that more electrons take part in oxygen reduction reaction on reduced GO than on its sulfur modified counterpart. The high activity of our materials is linked to oxygen and surface functional groups incorporated to the graphene structure, to the high degree of surface hydrophobicity and to the specific texture consisting of micro and mesopores (replicate of silica porosity).
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Effects of germanium and nitrogen incorporation on crystallization of N-doped Ge{sub 2+x}Sb{sub 2}Te{sub 5} (x = 0,1) thin films for phase-change memory
The phase-change behavior and microstructure changes of N-doped Ge{sub 3}Sb{sub 2}Te{sub 5}[N-GST(3/2/5)] and Ge{sub 2}Sb{sub 2}Te{sub 5}[GST(2/2/5)] films during the phase transition from an amorphous to a crystalline phase were studied using in situ temperature-dependent sheet resistance measurements, X-ray diffraction, and transmission electron microscopy. The optical band gaps of N-GST(3/2/5) films are higher than that of GST(2/2/5) film in both the amorphous and face-centered-cubic (fcc) phases. Ge nitride formation by X-ray photoelectron spectroscopy analysis increased the optical band gap and suppressed crystalline grain growth, resulting in an increase in the crystallization temperature and resistance in the fcc phase. As a result, the Ge- and N-doped GST(2/2/5) composite films can be considered as a promising material for phase-change memory application because of improved thermal stability and reduced power consumption.
36 MATERIALS SCIENCE↗
Effect of charge compensation on the photoelectrochemical properties of Ho-doped SrTiO{sub 3} films
When Ho{sup 3+} ions are substituted at Sr{sup 2+} sites in SrTiO{sub 3} (STO), the excess positive charges are compensated via three complementary routes: (1) strontium vacancies, (2) titanium vacancies, and (3) conduction electrons. In this study, we show that the photoelectrochemical properties of Ho-doped STO films are dependent on the charge compensation mechanisms. The compensation mechanism via the titanium vacancies exhibits the highest photocurrent density, which is 1.7 times higher than that of the pure STO sample. Based on the measured dielectric properties and electrochemical impedance spectroscopy data, we propose that the enhanced dielectric constant of the films can enlarge the width of the space charge region at the film/liquid interface, which eventually leads to the increase of the photocurrent density. Further enhancement of photocurrent density is obtained in the samples decorated with appropriate amounts of Pt nanoparticles, showing the advantage of composites for achieving the efficient photoelectrochemical property.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Effect of variation in indium concentration on the photosensitivity of chlorine doped In{sub 2}S{sub 3} thin films
Consequence of variation in Indium concentration in chlorine doped In2S{sub 3} thin films deposited by spray pyrolysis technique was studied. Chlorine was incorporated in the spray solution, using HCl and Indium concentration was varied by adjusting In/S ratio Interestingly, the photo response of all chlorine doped samples augmented compared to pristine samples; but the highest photosensitivity value of ∼2300 was obtained only when 36ml 0.5M HCl was added to the solution of In{sub 2}S{sub 3} having In/S=2/8. It was also observed that samples with high photosensitivity possess higher band gap and variation in sub band gap absoption levels were observed with increase in Indium concentration. The present study proved that concentration of Indium plays an important role in controlling the crystallinity and photosensitivity of chlorine doped samples.
36 MATERIALS SCIENCE↗
Effect of rapid thermal annealing on recombination centres in boron-doped Czochralski-grown silicon
Rapid thermal annealing in a belt furnace results in a dramatic change of the recombination properties of boron-doped Czochralski silicon: (1) the lifetime degraded by applying a prolonged illumination at room temperature was significantly improved, (2) after subsequent dark recovery, the lifetime has a remarkably high value, and (3) the permanent recovery, by annealing at 185 °C under illumination, is enormously accelerated, and the finally achieved stable lifetime acquires a record value of 1.5 ms, as compared to 110 μs after permanent recovery of not-annealed reference samples.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Effect of substrate temperature on structural and optical properties of nitrogen doped SnO{sub 2} thin film
Nitrogen doped SnO{sub 2}thin films (thickness ∼ 250 nm) were deposited at different substrate temperature by radio frequency (rf) sputtering method. Crystal structure, morphology and optical properties of these films were investigated by x-ray diffraction (XRD), atomic force microscopy (AFM) and UV-VIS-NIR spectrophotometer, respectively. XRD measurement suggests that the film deposited at room temperature was amorphous in nature and films deposited at higher temperature were crystalline in nature. The film deposited at RT and 200 °C have transparency more than 90% in visible region but the film deposited at 400 °C has lesser transparency. Red shift was observed in the absorption edge may be due to decrease in ionicity due to the formation of the Sn-N bond.
36 MATERIALS SCIENCE↗
The effect on soot and its gaseous precursors of trans-decalin doping in a laminar, non-premixed, ethylene-fueled, Planar Mixing Layer Flame (PMLF)
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Chemistry↗
Effect of high temperature annealing on the thermoelectric properties of GaP doped SiGe
Silicon-germanium alloys doped with GaP are used for thermoelectric energy conversion in the temperature range 300-1000 C. The conversion efficiency depends on Z = S-squared/rho lambda, a material's parameter (the figure of merit), where S is the Seebeck coefficient, rho is the electrical resistivity and lambda is the thermal conductivity. The annealing of several samples in the temperature range of 1100-1300 C resulted in the power factor P (= S-squared/rho) increasing with increased annealing temperature. This increase in P was due to a decrease in rho which was not completely offset by a drop in S-squared suggesting that other changes besides that in the carrier concentration took place. SEM and EDX analysis of the samples indicated the formation of a Ga-P-Ge rich phase as a result of the annealing. It is speculated that this phase is associated with the improved properties. Several reasons which could account for the improvement in the power factor of annealed GaP doped SiGe are given.
Vandersande, Jan W.↗
Doping directed at the oxygen sites in Y1Ba2Cu3O(7-delta) - The effect of sulfur, fluorine, and chlorine
The effect of three dopants directed at the oxygen sites in Y1Ba2Cu3O(7-delta) have been investigated: sulfur, fluorine, and chlorine. Single-phase material has been obtained up to a (nominal) replacement of about 1 percent of the oxygen. Although the lattice parameters are unchanged, all dopants raise Tc (very slightly), sharpen the resistive transition, reduce the normal state resistivity, and very substantially increase the (magnetically determined) fraction of the material that is superconducting. All of these results differ qualitatively from those obtained with dopants directed at other locations in the 123 structure, and it is suggested that small additions of sulfur, fluorine, or chlorine may help to stabilize the ideal 123 stoichiometry.
Bansal, N. P.↗
Plasmons in inhomogeneously doped neutral and charged graphene nanodisks
We study plasmons in graphene nanodisks including the effect of inhomogeneity in the distribution of the doping charge. Specifically, we discuss the following two configurations: charged disks containing a fixed amount of additional carriers, which are self-consistently distributed along the surface to produce a uniform DC potential; and neutral disks exposed to a neighboring external point charge. A suitable finite-element method is elaborated to compute the charge density associated with the plasmons in the electrostatic limit. For charged disks, we find dipolar plasmons similar to those of uniformly doped graphene structures, in which the plasmon induced charge piles up near the edges. In contrast, in neutral disks placed near an external point charge, plasmons are strongly localized away from the edges. Surprisingly, a single external electron is enough to trap plasmons. The disks also display axially symmetric dark-plasmons, which can be excited through external illumination by coupling them to a neighboring metallic element. Our results have practical relevance for graphene nanophotonics under inhomogeneous doping conditions.
36 MATERIALS SCIENCE↗
Carbon doping induced peculiar transport properties of boron nitride nanoribbons p-n junctions
By applying nonequilibrium Green's function combined with density functional theory, we investigate the electronic transport properties of carbon-doped p-n nanojunction based on hexagonal boron nitride armchair nanoribbons. The calculated I-V curves show that both the center and edge doping systems present obvious negative differential resistance (NDR) behavior and excellent rectifying effect. At low positive bias, the edge doping systems possess better NDR performance with larger peak-to-valley ratio (∼10{sup 5}), while at negative bias, the obtained peak-to-valley ratio for both of the edge and center doping systems can reach the order of 10{sup 7}. Meanwhile, center doping systems present better rectifying performance than the edge doping ones, and giant rectification ratio up to 10{sup 6} can be obtained in a wide bias range. These outstanding transport properties are explained by the evolution of the transmission spectra and band structures with applied bias, together with molecular projected self-consistent Hamiltonian eigenvalues and eigenstates.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Al-doped ZnO seed layer-dependent crystallographic control of ZnO nanorods by using electrochemical deposition
Highlights: • Polar and semipolar ZnO NRs were successfully achieved by hydrothermal synthesis. • Semipolar and polar ZnO NRs were grown on ZnO and AZO/m-sapphire, respectively. • Al % of AZO/m-sapphire enhanced the lateral growth rate of polar ZnO NRs. - Abstract: We investigated the effect of an Al-doped ZnO film on the crystallographic direction of ZnO nanorods (NRs) using electrochemical deposition. From high-solution X-ray diffraction measurements, the crystallographic plane of ZnO NRs grown on (1 0 0) ZnO/m-plane sapphire was (1 0 1). The surface grain size of the (100) Al-doped ZnO (AZO) film decreased with increasing Al content in the ZnO seed layer, implying that the Al dopant accelerated the three-dimensional (3D) growth of the AZO film. In addition, it was found that with increasing Al doping concentration of the AZO seed layer, the crystal orientation of the ZnO NRs grown on the AZO seed layer changed from [1 0 1] to [0 0 1]. With increasing Al content of the nonpolar (1 0 0) AZO seed layer, the small surface grains with a few crystallographic planes of the AZO film changed from semipolar (1 0 1) ZnO NRs to polar (0 0 1) ZnO NRs due to the increase of the vertical [0 0 1] growth rate of the ZnO NRs owing to excellent electrical properties.
36 MATERIALS SCIENCE↗
Optical and electronic properties of doped p -type CuI: Explanation of transparent conductivity from first principles
In this paper, we report the properties of the reported transparent conductor CuI, including the effect of heavy p-type doping. The results, based on first-principles calculations, include an analysis of the electronic structure and calculations of optical and dielectric properties. We find that the origin of the favorable transparent conducting behavior lies in the absence in the visible of strong interband transitions between deeper valence bands and states at the valence-band maximum that become empty with p-type doping. Instead, strong interband transitions to the valence-band maximum are concentrated in the infrared with energies below 1.3 eV. This is contrast to the valence bands of many wide-band-gapmaterials. Turning to the mobility,we find that the states at the valence-band maximum are relatively dispersive. This originates from their antibonding Cu d–I p character. We find a modest enhancement of the Born effective charges relative to nominal values, leading to a dielectric constant ε(0) = 6.3. This is sufficiently large to reduce ionized impurity scattering, leading to the expectation that the properties of CuI can still be significantly improved through sample quality.
14 SOLAR ENERGY↗
First-principles study on the magnetic properties in Mg doped BiFeO{sub 3} with and without oxygen vacancies
The magnetic properties of Mg-doped BiFeO{sub 3} (BFO) with and without oxygen vacancies are studied through first-principles calculations. The Mg-doping prefers to occupy the ferromagnetic planes and produces an obvious improved magnetization, and the magnetization is linearly enhanced with increasing Mg-doped content, which is consistent with the trend reported in experiment. However, our calculated result is significantly larger than the experimental one, and the reason is revealed that the relative energy differences of various spin-ordering configurations are small. Furthermore, oxygen vacancy in Mg-doped BFO can further enhance the magnetization, while keeping the insulating band gap character. The calculated results imply that the oxygen vacancy in Mg-doped BFO would be an effective way to improve the multiferroicity of BFO.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Regulating the surface Pt coordination environment in the PtN overlayers on PtCuN hollow nanospheres for efficient oxygen reduction reaction
Engineering the surface Pt coordination environment is a promising strategy for promoting the kinetically sluggish oxygen reduction reaction (ORR) on Pt-based catalysts. Here, in this study, we achieve the compressive strain effect and electronic effect by Cu and N co-doping to synthesize the PtCuN hollow nanospheres with PtN overlayers (PtCuN@PtN HNSs) using a facile solvothermal synthesis. Electrochemical investigations show that the constructed disordered Pt–N coordination structures effectively facilitate the ORR and stabilize Pt atoms in the compressed lattice, whereas an excessive N-doping can lead to the formation of a structurally unstable Pt nitride phase. Theoretical analyses confirm that the oxygen reduction kinetics on the compressed PtN overlayers are regulated by a synergistic effect resulting from N-doping and lattice compression, circumventing the traditional linear scaling relationships (LSR). The optimized PtCuN@PtN HNSs, with the composition of PtCu 0.29 N 1.1 , demonstrate an area-specific activity of 1.98 mA cm –2 and a mass-specific activity of 1.81 A mg Pt –1 .
36 MATERIALS SCIENCE↗
Modulation of the electron transport properties in graphene nanoribbons doped with BN chains
Using density-functional theory and the non-equilibrium Green's function method, the electron transport properties of zigzag graphene nanoribbons (ZGNRs) doped with BN chains are studied by systematically calculating the energy band structure, density of states and the transmission spectra for the systems. The BN chains destroyed the electronic transport properties of the ZGNRs, and an energy gap appeared for the ZGNRs, and displayed variations from a metal to a wide-gap semiconductor. With an increase in the number of BN chains, the band gap increased gradually in the band structure and the transmission coefficient decreased near the Fermi surface. Additionally, the doping position had a significant effect on the electronic properties of the ZGNRs.
36 MATERIALS SCIENCE↗