239 research outputs found

    Machine learning approach for elucidating and predicting the role of synthesis parameters on the shape and size of TiO2 nanoparticles

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    open9In the present work a series of design rules are developed in order to tune the morphology of TiO2 nanoparticles through hydrothermal process. Through a careful experimental design, the influence of relevant process parameters on the synthesis outcome are studied, reaching to the develop predictive models by using Machine Learning methods. The models, after the validation and training, are able to predict with high accuracy the synthesis outcome in terms of nanoparticle size, polydispersity and aspect ratio. Furthermore, they are implemented by reverse engineering approach to do the inverse process, i.e. obtain the optimal synthesis parameters given a specific product characteristic. For the first time, it is presented a synthesis method that allows continuous and precise control of NPs morphology with the possibility to tune the aspect ratio over a large range from 1.4 (perfect truncated bipyramids) to 6 (elongated nanoparticles) and the length from 20 to 140 nm.openPellegrino, Francesco; Isopescu, Raluca; Pellutiè, Letizia; Sordello, Fabrizio; Rossi, Andrea M; Ortel, Erik; Martra, Gianmario; Hodoroaba, Vasile-Dan; Maurino, ValterPellegrino, Francesco; Isopescu, Raluca; Pellutiè, Letizia; Sordello, Fabrizio; Rossi, Andrea M; Ortel, Erik; Martra, Gianmario; Hodoroaba, Vasile-Dan; Maurino, Valte

    The effect of data analysis strategies in density estimation of mountain ungulates using distance sampling

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    Distance sampling is being extensively used to estimate the abundance of animal populations. Nevertheless, the great variety of ways in which data can be analyzed may limit comparisons due to the lack of standardization of such protocols. In this study, the influence of analytical procedures for distance sampling data on density estimates and their precision was assessed. We have used data from 21 surveys of mountain ungulates in the Iberian Peninsula, France and the Italian Alps. Data from such surveys were analyzed with the program Distance 6.0. Our analyses show that estimated density can be higher for higher levels of data truncation. We also confirm that the estimates tend to be more precise when data are analyzed without binning and without truncating. We found no evidence of size biased sampling as group size and distances were uncorrelated in most of our surveys. Despite distance sampling being a fairly robust methodology, it can be sensitive to some data analysis strategies

    A methodology to discriminate between hydroxyl radical-induced processes and direct charge-transfer reactions in heterogeneous photocatalysis

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    A method to assess the ability of a photocatalyst to induce reactions with free or trapped hydroxyl radicals versus direct charge-transfer processes is here proposed, based on the use of phenol and 2-hydroxybenzoic acid (salicylic acid) as test substrates. The rationale is that phenol degradation would be preferentially (although not exclusively) induced by hydroxyl radicals, while salicylic acid would mainly undergo direct charge-transfer oxidation. The use of t-butanol as selective OH scavenger is helpful to understand how much each substrate is a selective indicator of the intended reaction pathway in the presence of a given semiconductor oxide. Phenol and salicylic acid should be used at low concentration (e.g. 25 mol L1) to limit the occurrence of the backreactions, the importance of which can be highlighted by using higher initial concentration values (e.g. 1 mmol L1). The method was optimized with the well-studied photocatalysts Evonik P25 and Wackherr's Oxyde de titane standard, and it was then applied to study the behavior of two TiO2/Al2O3 binary oxide systems (where TiO2 occurs as a mixture of anatase and rutile). The latter photocatalysts were poorly efficient toward the degradation of phenol, but they performed better with salicylic acid. These findings, which are coherent with the results of t-butanol addition, suggest that the two binary oxide systems would induce charge-transfer rather than OH reactions. © 2016 Science & Technology Network, Inc
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