Publications by authors named "Ilaria Barlocco"

Understanding the structure of a functional catalyst is crucial to disclosing the complexity of heterogeneous processes and improving their efficiency. Herein, coprecipitated cobalt-ceria (CoCeO) oxides doped with Ir (IrCoCeO) were synthesized and used to assess the performances of metal/oxide interfaces in the NH·HO decomposition performed in aqueous NaOH. Kinetic experiments in batch showed that CoO is the active phase of CoCeO and that the copresence of Ir and Co (IrCoCeO) enhanced H productivity.

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A computational screening of Single Atom Catalysts (SACs) bound to titanium nitride (TiN) is presented, for the Hydrogen Evolution Reaction (HER), based on density functional theory. The role of fundamental ingredients is explored to account for a reliable screening of SACs. Namely, the formation of H-complexes besides the classical H one impacts the predicted HER activity, in line with previous studies on other SACs.

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The need to replace conventional fuels with renewable sources is a great challenge for the science community. H is a promising alternative due to its high energy density and availability. H generation from formic acid (FA) decomposition occurred in a batch and a packed-bed flow reactor, in mild conditions, using a 2% PdZn/HHT (high heated treated) catalyst synthesised via the sol-immobilisation method.

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Metal-free heterogeneous catalysis is promising in the context of H generation. Therefore, establishing structure-activity relationships is a crucial issue to improve the development of more efficient catalysts. Herein, to evaluate the reactivity of the oxygen functionalities in carbonaceous materials, commercial functionalized pyrolytically stripped carbon nanofibers (CNFs) were used as catalysts in the liquid-phase hydrous hydrazine decomposition process and its activity was compared to that of a pristine CNF material.

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CO adsorption and activation on Cu single atom catalysts and Cu nanoclusters supported on the (110) surface of rutile and on the (101) surface of anatase TiO have been investigated by means of first principles electronic structure calculations. The role of oxide reduction associated to the presence of oxygen vacancies has been considered. Five main messages emerge from this study.

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Supported nanocatalysts exhibit different performances in batch and fixed bed reactors for a wide range of liquid phase catalytic reactions due to differences in metal leaching. To investigate this leaching process and its influence on the catalytic performance, a quantitative 3D characterization of the particle size and the particle distribution is important to follow the structural evolution of the active metal catalysts supported on porous materials during the reaction. In this work, electron tomography has been applied to uncover leaching and redeposition of a Pd@CMK3 catalyst during formic acid decomposition in batch and fixed bed reactors.

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Stabilizing metal nanoparticles is vital for large scale implementations of supported metal catalysts, particularly for a sustainable transition to clean energy, , H production. In this work, iridium sub-nanometric particles were deposited on commercial graphite and on graphitic carbon nitride by a wet impregnation method to investigate the metal-support interaction during the hydrous hydrazine decomposition reaction. To establish a structure-activity relationship, samples were characterized by transmission electron microscopy and X-ray photoelectron spectroscopy.

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Herein we report a combined experimental and computational investigation unravelling the hydrazine hydrate decomposition reaction on metal-free catalysts. The study focuses on commercial graphite and two different carbon nanofibers, pyrolytically stripped (CNF-PS) and high heat-treated (CNF-HHT), respectively, treated at 700 and 3000 °C to increase their intrinsic defects. Raman spectroscopy demonstrated a correlation between the initial catalytic activity and the intrinsic defectiveness of carbonaceous materials.

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In the present work, an Ir/CeO catalyst was prepared by the deposition-precipitation method and tested in the decomposition of hydrazine hydrate to hydrogen, which is very important in the development of hydrogen storage materials for fuel cells. The catalyst was characterised using different techniques, i.e.

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Commercial graphite (GP), graphite oxide (GO), and two carbon nanofibers (CNF-PR24-PS and CNF-PR24-LHT) were used as catalysts for the metal-free dehydrogenation reaction of formic acid (FA) in the liquid phase. Raman and XPS spectroscopy demonstrated that the activity is directly correlated with the defectiveness of the carbon material (GO > CNF-PR24-PS > CNF-PR24-LHT > GP). Strong deactivation phenomena were observed for all the catalysts after 5 minutes of reaction.

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