Matteo Signorile

University of Turin

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Silvia Bordiga

National Interuniversity Consortium of Materials Science and Technology

Valentina Crocellà

University of Turin

Francesca Bonino

University of Turin

Elisa Borfecchia

University of Turin

Alessandro Damin

University of Turin

Gabriele Deplano

University of Turin

Unni Olsbye

University of Oslo

Marco Taddei

University of Pisa

Kirill A. Lomachenko

European Synchrotron Radiation Facility

Stian Svelle

University of Oslo

Cooperative Institutions

University of Turin

National Interuniversity Consortium of Materials Science and Technology

Torino e-district

University of Oslo

Centre National de la Recherche Scientifique

Interface (United States)

Polytechnic University of Turin

Leipzig University

657 Oslo

Istituto Nazionale di Ricerca Metrologica

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A quantum mechanical study of dehydrationvs.decarbonylation of formamide catalysed by amorphous silica surfaces

Physical Chemistry Chemical Physics (2020)

Stefano Pantaleone Clara Salvini Lorenzo Zamirri Matteo Signorile Francesca Bonino

Formamide is abundant in the interstellar medium and was also present during the formation of the Solar system through the accretion process of interstellar dust. Under the physicochemical conditions of primordial Earth, formamide could have undergone decomposition, either via dehydration (HCN + H2O) or via decarbonylation (CO + NH3). The first reactive channel provides HCN, which is an essential molecular building block for the formation of RNA/DNA bases, crucial for the emergence of life on Earth. In this work, we studied, at the CCSD(T)/cc-pVTZ level, the two competitive routes of formamide decomposition, i.e. dehydration and decarbonylation, either in liquid formamide (by using the polarization continuum model technique) or at the interface between liquid formamide and amorphous silica. Amorphous silica was adopted as a convenient model of the crystalline silica phases ubiquitously present in the primordial (and actual) Earth's crust, and also due to its relevance in catalysis, adsorption and chromatography. Results show that: (i) silica surface sites catalyse both decomposition channels by reducing the activation barriers by about 100 kJ mol-1 with respect to the reactions in homogeneous medium, and (ii) the dehydration channel, giving rise to HCN, is strongly favoured from a kinetic standpoint over decarbonylation, the latter being, instead, slightly favoured from a thermodynamic point of view.

Decarbonylation

10.1039/d0cp00572j

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Citations (7)

MoS2 supported on P25 titania: A model system for the activation of a HDS catalyst

Journal of Catalysis (2015)

Matteo Signorile Alessandro Damin Andriy Budnyk Carlo Lamberti A. Puig-Molina

10.1016/j.jcat.2015.01.012

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Citations (36)

Rationalization of TS-1 synthesis through the design of experiments

Inorganic Chemistry Frontiers (2022)

Francesca Rosso Andrea Rizzetto Alessia Airi Khrystyna Khoma Matteo Signorile

A Design of Experiments approach allowed studying the parameters affecting TS-1 synthesis. Few of them drive the key properties of the TS-1 (synthesis yield, Ti content and speciation), namely hydrolysis time and crystallization time and temperature.

rationalization

10.1039/d2qi00643j

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Citations (9)

Cooperative CO₂ adsorption mechanism in a perfluorinated Ce^IV-based metal organic framework

Journal of Materials Chemistry A (2023)

Margherita Cavallo Cesare Atzori Matteo Signorile Ferdinando Costantino Diletta Morelli Venturi

The peculiar mechanism of cooperative CO 2 adsorption in a perfluorinated Ce IV -based metal–organic framework with MIL-140 topology is disclosed using a combination of experimental and computational methods.

10.1039/d2ta09746j

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Citations (18)

Back Cover: Nature and Topology of Metal–Oxygen Binding Sites in Zeolite Materials: ¹⁷O High‐Resolution EPR Spectroscopy of Metal‐Loaded ZSM‐5 (Angew. Chem. Int. Ed. 36/2019)

Angewandte Chemie International Edition (2019)

Elena Morra Matteo Signorile Enrico Salvadori Silvia Bordiga Elio Giamello

The nature of the chemical bonding of open-shell metals in zeolites is revealed through the combination of site-selective 17O isotopic labeling and electron paramagnetic resonance spectroscopy. In their Communication on page 12398 ff., M. Chiesa and co-workers provide details of the metal–oxide interaction, including covalency, ionicity, and electron and spin delocalization, and translate these into a full atomistic model.

10.1002/anie.201909720

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Citations (2)

Exploring Ce(IV)-MOFs redox behavior for catalysis by spectroscopies

Nano Materials Science (2024)

Valeria Finelli Sergio Rojas‐Buzo Matteo Signorile Francesca Bonino Silvia Bordiga

10.1016/j.nanoms.2024.11.001

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Capturing Carbon Dioxide from Air with Charged-Sorbents

Huaiguang Li Mary E. Zick Teedhat Trisukhon Matteo Signorile Xinyu Liu

Emissions reduction and greenhouse gas removal from the atmosphere are both necessary to achieve net-zero emissions and limit climate change.1 There is thus a need for improved sorbents for the capture of carbon dioxide from the atmosphere, a process known as direct air capture. In particular, low-cost materials that can be regenerated at low temperatures would overcome the limitations of current technologies. In this work, we introduce a new class of designer sorbent materials known as “charged-sorbents”. These materials are prepared through a battery-like charging process which accumulates ions in the pores of low-cost activated carbons, with the inserted ions then serving as adsorption sites for carbon dioxide adsorption. We use our charging process to accumulate reactive hydroxide ions in the pores of a carbon electrode, and find that the resulting sorbent material can rapidly capture carbon dioxide from ambient air via (bi)carbonate formation. Unlike traditional bulk carbonates, charged-sorbent regeneration can be achieved at low temperatures (90-100 ºC), and the sorbent's conductive nature permits direct Joule heating regeneration2,3 using renewable electricity. Given their highly tailorable pore environments and low cost, we anticipate that charged-sorbents will find numerous potential applications in chemical separations, catalysis, and beyond.

Carbon fibers

10.26434/chemrxiv-2023-p4fhz-v2

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Citations (1)

Influence of ion mobility on the redox and catalytic properties of Cu ions in zeolites

Zenodo (CERN European Organization for Nuclear Research) (2022)

Matteo Signorile Elisa Borfecchia Silvia Bordiga Gloria Berlier

Data type: Experimental spectroscopic measurements and related elaboration from Figure 7 Files are with filename extensions: txt Information on origin of the data: Normalized Cu K-edge XANES of a Cu-CHA sample (Si/Al = 5, Cu/Al = 0.3), collected during heating from RT to 350 °C under a He flow. In situ data were collected at the BM23 beamline of the European Synchrotron Radiation Facility (ESRF, Grenoble, France) in a Microtomo reactor cell Cu L₃-edge TEY NEXAFS spectra of of a Cu-CHA sample (Si/Al = 5, Cu/Al = 0.3), collected during heating from RT to 350 °C under a He flow. In situ data were collected at the APE-HE beamline of Elettra Sincrotrone Trieste (Basovizza, Italy) in a dedicated ambient pressure cell. Information on: specialized abbreviations: XANES – X-ray absorption near edge structure, TEY - Total Electron Yield, NEXAFS – near edge X-ray absorption fine structure, CHA - chabazite

10.5281/zenodo.7015254

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Formamide Adsorption at the Amorphous Silica Surface: A Combined Experimental and Computational Approach

Life (2018)

Matteo Signorile Clara Salvini Lorenzo Zamirri Francesca Bonino Gianmario Martra

Mineral surfaces have been demonstrated to play a central role in prebiotic reactions, which are understood to be at the basis of the origin of life. Among the various molecules proposed as precursors for these reactions, one of the most interesting is formamide. Formamide has been shown to be a pluripotent molecule, generating a wide distribution of relevant prebiotic products. In particular, the outcomes of its reactivity are strongly related to the presence of mineral phases acting as catalysts toward specific reaction pathways. While the mineral⁻products relationship has been deeply studied for a large pool of materials, the fundamental description of formamide reactivity over mineral surfaces at a microscopic level is missing in the literature. In particular, a key step of formamide chemistry at surfaces is adsorption on available interaction sites. This report aims to investigate the adsorption of formamide over a well-defined amorphous silica, chosen as a model mineral surface. An experimental IR investigation of formamide adsorption was carried out and its outcomes were interpreted on the basis of first principles simulation of the process, adopting a realistic model of amorphous silica.

Reactivity

10.3390/life8040042

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Citations (18)

Cooperative CO2 adsorption mechanism in a perfluorinated CeIV-based metal organic framework

Margherita Cavallo Cesare Atzori Matteo Signorile Ferdinando Costantino Diletta Morelli Venturi

Adsorbents able to uptake large amounts of gases within a narrow range of pressure, i.e., phase-change adsorbents, are emerging as highly interesting systems to achieve excellent gas separation performances with little energy input for regeneration. A recently discovered metal-organic framework based on CeIV and tetrafluoroterephthalate, dubbed F4_MIL-140A(Ce), displays a step-shaped CO2 adsorption isotherm, reaching saturation in conditions of temperature and pressure compatible with real life application in post-combustion carbon capture. Here, we combine data obtained from a wide pool of characterisation techniques – namely gas sorption analysis, in situ infrared spectroscopy, in situ powder X-ray diffraction, in situ X-ray absorption spectroscopy, multinuclear solid state nuclear magnetic resonance spectroscopy and adsorption microcalorimetry - with periodic density functional theory simulations, to provide evidence for the existence of a cooperative CO2 adsorption mechanism that involves concerted rotation of perfluorinated aromatic rings and interaction with open metal sites.

Isothermal microcalorimetry

Saturation (graph theory)

Carbon fibers

10.26434/chemrxiv-2022-cj61d-v2

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