Optoelectronic properties of calcium cobalt oxide misfit nanotubes

We report on the optoelectronic properties of a recently discovered nanotubular phase of misfit-layered calcium cobalt oxide, CaCoO2-CoO2. Individual nanotubes are investigated by spatially resolved electron energy-loss spectroscopy experiments performed in a transmission electron microscope, and complementary first-principles, time-dependent hybrid density-functional theory calculations are performed to elucidate the electronic structure and optical spectra. We find that the band gap is independent of the geometry of the nanotubes, and experimental and calculated results independently confirm an optical gap of 1.9-2.1 eV for the CaCoO2-CoO2 nanotubes. The time-dependent hybrid density-functional theory calculations also suggest the existence of strongly bound intralayer excitons (up to 0.5 eV binding energy), which could allow for optoelectronic applications of these nanotubes at near-infrared to visible (~1.5-2 eV) wavelengths

Electrical conductivity of oxidized-graphenic nanoplatelets obtained from bamboo: Effect of the oxygen content

The large-scale production of graphene and reduced-graphene oxide (rGO) requires low-cost and eco-friendly synthesis methods. We employed a new, simple, cost-effective pyrolytic method to synthetize oxidized-graphenic nanoplatelets (OGNP) using bamboo pyroligneous acid (BPA) as a source. Thorough analyses via high-resolution transmission electron microscopy and electron energy-loss spectroscopy provides a complete structural and chemical description at the local scale of these samples. In particular, we found that at the highest carbonization temperature the OGNP-BPA are mainly in a sp2 bonding configuration (sp2 fraction of 87%). To determine the electrical properties of single nanoplatelets, these were contacted by Pt nanowires deposited through focused-ion-beam-induced deposition techniques. Increased conductivity by two orders of magnitude is observed as oxygen content decreases from 17% to 5%, reaching a value of 2.3 103 S m-1 at the lowest oxygen content. Temperature-dependent conductivity reveals a semiconductor transport behavior, described by the Mott three-dimensional variable range hopping mechanism. From the localization length, we estimate a band-gap value of 0.22(2) eV for an oxygen content of 5%. This investigation demonstrates the great potential of the OGNP-BPA for technological applications, given that their structural and electrical behavior is similar to the highly reduced rGO sheets obtained by more sophisticated conventional synthesis methods

Impact of the absolute rutile fraction on TiO2 visible-light absorption and visible-light-promoted photocatalytic activity

Titanium dioxide is by far the most used semiconductor material for photocatalytic applications. Still, it is transparent to visible-light. Recently, it has been proved that a type-II band alignment for the rutile − anatase mixture would improve visible-light absorption. In this research paper we thoroughly characterised the real crystalline and amorphous phases of synthesised titanias – thermally treated at different temperatures to get distinct ratios of anatase-rutile-amorphous fraction – as well as that of three commercially available photocatalytic nano-TiO2. Optical spectroscopy showed that even a small fraction of rutile (2 wt%) is able to shift to lower energies the apparent optical band gap of an anatase-rutile mixed phase. But is this enough to attain a real photocatalytic activity promoted by merely visible-light? We tried to give an answer to that question. Photocatalytic activity was assessed in the liquid- and gas-solid phase (employing rhodamine B and 4-chlorophenol, and isopropanol, respectively, as the organic substances to degrade) using a light source irradiating exclusively in the visible-range. Photocatalytic activity results in the liquid-solid phase showed that a high surface hydroxylation led to specimen with superior visible light-promoted catalytic activity – i.e. dye and ligand-to-metal charge transfer complexes sensitisation effects, not photocatalysis sensu-strictu. On the other hand, the gas-solid phase results showed that a higher amount of the absolute rutile fraction (around 10 wt%), together with less recombination of the charge carriers, were more effective for both visible-light absorption and a “real” visible-light promoted photocatalytic oxidation of isopropanol.publishe

Systematic study of Oxygen vacancy tunable transport properties of few-layer MoO3- x enabled by vapor-based synthesis

Bulk and nanoscale molybdenum trioxide (MoO3) has shown impressive technologically relevant properties, but deeper investigation into 2D MoO3 has been prevented by the lack of reliable vapor-based synthesis and doping techniques. Herein, the successful synthesis of high-quality, few-layer MoO3 down to bilayer thickness via physical vapor deposition is reported. The electronic structure of MoO3 can be strongly modified by introducing oxygen substoichiometry (MoO3- x), which introduces gap states and increases conductivity. A dose-controlled electron irradiation technique to introduce oxygen vacancies into the few-layer MoO3 structure is presented, thereby adding n-type doping. By combining in situ transport with core-loss and monochromated low-loss scanning transmission electron microscopy–electron energy-loss spectroscopy studies, a detailed structure–property relationship is developed between Mo-oxidation state and resistance. Transport properties are reported for MoO3- x down to three layers thick, the most 2D-like MoO3- x transport hitherto reported. Combining these results with density functional theory calculations, a radiolysis-based mechanism for the irradiation-induced oxygen vacancy introduction is developed, including insights into favorable configurations of oxygen defects. These systematic studies represent an important step forward in bringing few-layer MoO3 and MoO3- x into the 2D family, as well as highlight the promise of MoO3- x as a functional, tunable electronic material

Multiband light emission and nanoscale chemical analyses of carbonized fumed silica

Fumed silica with a specific area of 295 m(2)/g was carbonized by successive phenyltrimethoxysilane treatments followed by annealing in inert atmosphere up to 650 degrees C. Emission, excitation, kinetics, and photo-induced bleaching effects were investigated by steady state and time-resolved photoluminescence spectroscopies. The local chemistry was also studied by infrared transmission spectroscopy. Strong ultraviolet and visible photoluminescence was observed in the samples after the chemical treatments/modifications and thermal annealing. It has been shown that ultraviolet photoluminescence in chemically modified fumed silica is associated with phenyl groups, while near ultraviolet and visible emission in annealed samples originated from inorganic pyrolytic carbon precipitates dispersed in the silica host matrix. Two types of emission bands were identified as a function of the annealing temperature: one is in the near UV and the other is in the visible range. Based on the emission/excitation analysis of these two bands, as well as on correlations with the synthesis conditions, a structural-energy concept of light-emitting centers has been proposed. According to this model, the light-emitting centers are associated with carbon clusters that can be bonded or adsorbed on the silica surface. This has been validated by a detailed (S)TEM-electron energy-loss spectroscopy study, confirming the inhomogeneous distribution of nanoscale carbon precipitates at the surface of the silica nanoparticles. These carbon precipitates are mostly amorphous although they possess some degree of graphitization and local order. Finally, the fraction of sp(2) carbon in these nanoclusters has been estimated to be close to 80%. Published by AIP Publishing

A 'small-world-like' model for comparing interventions aimed at preventing and controlling influenza pandemics

BACKGROUND: With an influenza pandemic seemingly imminent, we constructed a model simulating the spread of influenza within the community, in order to test the impact of various interventions. METHODS: The model includes an individual level, in which the risk of influenza virus infection and the dynamics of viral shedding are simulated according to age, treatment, and vaccination status; and a community level, in which meetings between individuals are simulated on randomly generated graphs. We used data on real pandemics to calibrate some parameters of the model. The reference scenario assumes no vaccination, no use of antiviral drugs, and no preexisting herd immunity. We explored the impact of interventions such as vaccination, treatment/prophylaxis with neuraminidase inhibitors, quarantine, and closure of schools or workplaces. RESULTS: In the reference scenario, 57% of realizations lead to an explosive outbreak, lasting a mean of 82 days (standard deviation (SD) 12 days) and affecting 46.8% of the population on average. Interventions aimed at reducing the number of meetings, combined with measures reducing individual transmissibility, would be partly effective: coverage of 70% of affected households, with treatment of the index patient, prophylaxis of household contacts, and confinement to home of all household members, would reduce the probability of an outbreak by 52%, and the remaining outbreaks would be limited to 17% of the population (range 0.8%–25%). Reactive vaccination of 70% of the susceptible population would significantly reduce the frequency, size, and mean duration of outbreaks, but the benefit would depend markedly on the interval between identification of the first case and the beginning of mass vaccination. The epidemic would affect 4% of the population if vaccination started immediately, 17% if there was a 14-day delay, and 36% if there was a 28-day delay. Closing schools when the number of infections in the community exceeded 50 would be very effective, limiting the size of outbreaks to 10% of the population (range 0.9%–22%). CONCLUSION: This flexible tool can help to determine the interventions most likely to contain an influenza pandemic. These results support the stockpiling of antiviral drugs and accelerated vaccine development

Non-Standard Errors

In statistics, samples are drawn from a population in a data-generating process (DGP). Standard errors measure the uncertainty in estimates of population parameters. In science, evidence is generated to test hypotheses in an evidence-generating process (EGP). We claim that EGP variation across researchers adds uncertainty: Non-standard errors (NSEs). We study NSEs by letting 164 teams test the same hypotheses on the same data. NSEs turn out to be sizable, but smaller for better reproducible or higher rated research. Adding peer-review stages reduces NSEs. We further find that this type of uncertainty is underestimated by participants

Non-standard errors

In statistics, samples are drawn from a population in a data-generating process (DGP). Standard errors measure the uncertainty in estimates of population parameters. In science, evidence is generated to test hypotheses in an evidence generating process (EGP). We claim that EGP variation across researchers adds uncertainty: Non-standard errors (NSEs). We study NSEs by letting 164 teams test the same hypotheses on the same data. NSEs turn out to be sizable, but smaller for better reproducible or higher rated research. Adding peer-review stages reduces NSEs. We further find that this type of uncertainty is underestimated by participants

Influence des conditions hydrodynamiques sur la corrosion localisee (piqures et crevasses) de l'aluminium en milieu hydro-organique : effet des ions nitrate

SIGLECNRS T Bordereau / INIST-CNRS - Institut de l'Information Scientifique et TechniqueFRFranc