Work Packages

  • WP8. Project Management

    Objectives

    Catsense Supervisory Board (SB)

    • supervise the progress made by each ESR within his/her doctoral programme
    • monitor the evolution of individual profiles toward the development of interdisciplinarity and intersectorial professionalism
    • take care of the dissemination and outreach aspects of Catsense.

     

    Leading Partner

    • KUL

     

    Leading ESRs and ER

    • ESR1 - Ting-Wei Liao
    • ESR2 - Anupam Yadav
    • ER1 - Salvatore Cosentino
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  • WP1. Cluster Deposition

    Objectives

    Production of ligand-free (bi)metallic arrays of clusters immobilized on surfaces by supersonic cluster beam deposition techniques with control over the:

    • cluster mass (size) through mass-selection techniques;
    • cluster composition through alloyed target or the use of dual laser sources;
    • nature of the substrate, as this technique allows deposition on virtually any type of substrate;
    • cluster attachment to the surface through the choice of an optimal individual cluster energy to ‘pin’ the particles to the surface
    • cluster coverage through the deposition time. 

     

    Leading Partners

    • KUL - bimetallic clusters
    • UoB - continuous production
    • DTU - in situ microreactors
    • UMIL & TCL Large quantity cluster production

     

    Leading ESRs and ER

    • ESR1- Ting-Wei Liao
    • ER1- Salvatore Cosentino
    • ESR3 - Rongsheng Cai
    • ESR9 - Giuseppe Sanzone
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  • WP2. Characterization of deposited clusters

    Objectives

    The structure and morphology of the deposited clusters will be studied:

    • routinely by AFM, STM, AES, and RBS
    • ex situ using aberration-corrected scanning transmission electron microscopy (TEM) and/or STEM
    • in situ by XPS, IR in operando conditions and XAFS at The European Synchrotron (ESRF)
    • Single cluster characterisation by optical microscopy and Raman

     

    Leading Partners

    • KUL - AFM, STM, AES, RBS, IR, XAFS, Optical Microscopy, Raman
    • UoB - AFM, TEM, STEM
    • DTU - AFM, XPS

     

    Leading ESRs and ER

    • ESR2 - Anupam Yadav
    • ESR3 - Rongsheng Cai
    • ER2 - Zhiya Dang

     

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  • WP3.Theoretical Modeling

    Objectives

    State-of-the-art DFT using accurate functional and plane wave basis sets (code VASP or QuantumEspresso) will be carried out in a fully interactive mode with the experimental partners to predic:

    • the geometric and electronic structure of clusters supported on various oxides
    • thermodynamic, kinetic, and spectroscopic information to support experimental results.
    • the geometries, spin states, stabilities, and spectroscopic response (STM, NMR, IR-Raman, UV-Vis, ESR, EELS, XPS/UPS, etc) of reactants, products,
    • key intermediates, and transition states in order to map out the proposed reaction pathways as an aid for interpreting experimental results.
    • combinations of the key parameters that generate high (electro)catalytic & biosensing performances.

     

    Leading Partner

    • UMIB

     

    Leading ESRs

    • ESR5 - Philomena Schlexer
    • ESR6 - Antonio Ruiz

     

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  • WP4. Biosensor Testing

    Objectives

    The electrochemical characterization of the Cluster Modified Electrodes (CMEs) surface will be performed by

    • cyclic and square wave voltammetry
    • impedimetric methods.

    For each configuration, the geometry and fabrication procedures as well as experimental variables will be optimized, and analytical characteristics of the best configuration will be estimated.

    Electrochemical performance of CMEs in a microfluidic environment will be tested and a feasibility study of the biofunctionalization of series of CMEs with biomolecules will be carried out.

     

    Leading Partners

    • TAU
    • UMIL

     

    Leading ESRs

    • ESR7 - Richa Pandey
    • ESR8 -  Giorgia Fiaschi
    • ESR11 - Wondimu Alemu Gebreyes

     

     

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  • WP5. Catalyst Testing

    Objectives

    Fuel Cell Electrocatalysis

    • ex-situ testing of the electrochemical properties of (Pt-based) bimetallic clusters deposited (UoB,KUL) on carbon glassy electrodes via voltammetry and impedance spectroscopy (UoB)
    • in-situ testing of selected systems in a single-cell fuel cell(UoB)

     

    Gas Flow Catalysis

    • testing of the CO selective oxidation (CO-PROX) activity of the most promising clusters-based catalysts (UoB,TCL,KUL) using specially designed gas flow reactors fitted with ultra-sensitive detection techniques using ppb-level mass spectrometers (KUL)
    • characterization of selected catalysts in operando conditions by IR & XAFS spectroscopies (WP2)
    • testing of small amounts of catalysts not exposed to the ambient carried out in micro reactors coupled with the cluster source (DTU)

     

    Single Molecule Catalysis

    • The potential of measuring the catalytic activity of individual clusters (nanocatalysis) deposited on transparent substrates in the liquid phase by monitoring single turnover through single molecule spectroscopy (SMS) will be investigated with confocal/wide-field microscopy and SERS Raman

     

    Leading Partners

    • DTU
    • UoB
    • KUL

     

    Leading ESRs

    • ESR4 - Bela Sebok
    • ESR3A - Yubiao Niu
    • ESR2 - Anupam Yadav

     

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  • WP6. Prototyping of a tailored Biosensor & Catalyst

    Objectives

    The highest performance biosensor and catalyst system will be taken forward into prototyping. This WP will be guided by FIL, TCL, TAU, JM (associate partner) & CID (associate partners) by identifying criteria and critical aspects in view of an industrial up-scaling & standardization.

    • TCL will investigate the production up-scaling for deposition of the optimized clusters (in terms of size and composition) on powders and electrodes using multiple magnetron source cluster deposition technology.
    • JM will test the first hetererogeneous catalyst and fuel cell electrocatalyst prototypes in realistic operative conditions.
    • TAU & FIL will develop the first prototype of a microfluidic CME-based biosensor integrating the different biosensor components.

     

    Leading Partners

    • UMIL
    • TAU

     

    Leading ESRs

    • ESR10 - Alexandra Raileanu
    • ESR11 - Wondimu Alemu Gebreyes
    • ESR7 - Richa Pandey
    • ESR8 - Giorgia Fiaschi
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  • WP7. Training

    Objectives

    The Advanced Training Courses (ATCs) consisting of Workshops, Conferences, Summer schools, and the secondment programme will be centrally supervised by KUL in collaboration with all partners

     

    Leading Partner

    • KUL

     

    Leading ESRs and ER

    • ESR1 - Ting-Wei Liao
    • ESR2 - Anupam Yadav
    • ER1 - Salvatore Cosentino
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