1,720,988 research outputs found
Ab-initio Characterization of a Novel Photocathode for Water Splitting: Bulk and Surface Properties of CuFeO2
Full text linkRecent experiments have highlighted the delafossite CuFeO2 (CFO) as a promising candidate in the role of the photocathode in photoelectrochemical water splitting cells, yet in spite of these encouraging results, improvement in the catalytic activity and charge separation is required. Currently, we lack an adequate theoretical characterization to provide insight that can direct further experimental investigations.
In this work, we present a theoretical characterization of CFO based on the DFT+U approach and refined with hybrid calculations.
In particular, we characterized the stability of bulk CFO with respect to other iron and copper oxides in the air and in an aqueous environment, coupling Density Functional Theory with Ab-Initio Thermodynamics.
We investigated the structure, electronic properties and thermodynamic stability of CuFeO_2 surfaces, both in vacuum and in an electrochemical environment. To estimate the alignment of the band edges on the electrochemical scale, we perform ab-initio molecular dynamics in explicit water, unravelling the structure of the solid/liquid interface for various surface terminations. We consider both the system in the dark and under illumination, showing that light absorption can induce a partial reduction of the surface. Using the free energy of adsorption of hydrogen as a descriptor of the catalytic activity for HER, we show that hydride species formed at oxygen vacancies can be highly active, and could therefore be an intermediate of reaction
Acute treatment of migraine in children and adolescents
No full textThe management of headaches with juvenile onset presents several problems, related not only to appropriate drug selection but also to the specific features distinguishing headache disorders in children and adolescents: a child is not a “little adult”. Many age-related factors influence the clinical expression of headache and these should be taken into account not only in the treatment, but also in the diagnosis, of juvenile headache.
Few randomised placebo-controlled clinical trials of acute or preventive drugs have been conducted in paediatric headache patients, and those that have show a high placebo response rate in children (e.g. up to 55% for prophylactic drugs and up to 69% for symptomatic ones).
The available data on symptomatic drugs are presented and discussed, focusing, in particular, on mechanisms of action, evidence of efficacy, and tolerability
New data on psychological traits and sleep profiles of patients affected by nocturnal eating
No full textAbstract not availablePiergiuseppe Vinai, Raffaele Ferri, Matteo Anelli, Luigi Ferini-Strambi, Marco Zucconi, Alessandro Oldani, Mauro Mancon
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
A Method for Predicting Words by Interpreting Labial Movements
No full textThe study of lips movements is relevant for a series of interesting applications in real world to enhance the communication
means and in medical applications. In the present paper we illustrate a method we implemented with the purpose of helping Amyotrophic
Lateral Schlerosys (ALS) patients to communicate, once the progress of the disease requires to intubate the patient and the voice is lost.
The Method uses several subsystems to carry out a so complex task and the results are really promising. However the method need to be improved in order to make the system more easy to use and more reliable in the prediction of pronounced words
Variations on the Author
Full text link“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
Appropriate Similarity Measures for Author Cocitation Analysis
Full text linkWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
Chemical kinetics of catalytic/non-catalytic pyrolysis and gasification of solid plastic wastes
No full textIn a circular economy perspective, solid plastic wastes (SPW) can become a valuable source of chemicals, energy vectors and fuels. Catalytic and non-catalytic pyrolysis, gasification, and partial oxidation technologies can be employed to produce hydrogen, syngas, chemicals, fuels, or energy, providing more efficient and environmentally sound options compared to landfill disposal. Product distribution optimization, experiment, reactor, and process design as well as pollutant formation control can largely benefit from accurate and predictive reactor models. Chemical kinetic models constitute a core part of reactive flow modeling approaches, together with heat and mass transfer models. Mechanistic models provide insights into the degradation process of polymers and into the chemical dynamics involved in the transformation of a polymer or a polymer mixture in valuable products. Kinetic analysis of the pyrolysis of plastics is pivotal for understanding the optimal conditions of the cracking process improving reactor design and providing a solid basis for scale-up. Beyond global models mostly aiming at representing the overall conversion of the polymer backbone, theory-based detailed and semi-detailed models allow to explore with good predictive capability a wide range of conditions also tracking the product distribution. This chapter provides an overview of state-of-the-art kinetic modeling approaches from the molecular scale understanding of the occurring chemistry in both thermal and thermo-catalytic conversion, to the design, assembly and validation of integrated semi-detailed kinetic models
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