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Combined operando spectroscopy with model-based experimental design to study the mechanism of catalytic surface reactions

Total Cost €


EC-Contrib. €






Project "OpeSpeKin" data sheet

The following table provides information about the project.


Organization address
city: LONDON
postcode: WC1E 6BT
website: n.a.

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country United Kingdom [UK]
 Total cost 212˙933 €
 EC max contribution 212˙933 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2018
 Funding Scheme MSCA-IF-EF-CAR
 Starting year 2020
 Duration (year-month-day) from 2020-03-01   to  2022-02-28


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITY COLLEGE LONDON UK (LONDON) coordinator 212˙933.00


 Project objective

Global warming from CO2 emissions is one of the greatest challenges facing mankind. Catalysis offers the potential to utilize CO2 as a carbon source, however improved catalysts are required. To unlock the potential of catalytic CO2 conversion, it is neccessary to observe catalysts in-action ‘in-operando’ to design improved active sites and more active/selective and energy efficient processes. Operando spectroscopy is an effective technique in investigating the reactions that take place on catalyst surface. Combining operando spectroscopy with kinetics (spectrokinetics) offers a powerful approach for studying the underlying mechanism of the reaction. This approach can enhance our understanding of the surface reactions and further elucidate the role of surface intermediates in real time of reaction. In this work, the evolution of the concentration of reactants, surface species and products will be used jointly in kinetic modelling to understand the mechanism of the reaction. In most kinetic studies, the procedure leading to a possible reaction mechanism is experiment- and time-intensive. Therefore, in this research, model-based design of experiment (MBDoE) techniques will be employed in designing a set of experiments to obtain the most informative data for development of kinetic model. Overall, this research project intends to integrate operando spectroscopy with microkinetic modelling to rational design and optimization of new efcient catalytic systems for conversion of CO2. The project aims at: 1. Optimizing operando spectroscopy set-up 2. Developing alternative kinetic models from microkinetic analysis 3. Employing MBDoE techniques to operando spectroscopy system 4. Identification of reaction mechanism and precise estimation of kinetic parameters 5. Investigating the correlation of surface species with observed reactivity

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The information about "OPESPEKIN" are provided by the European Opendata Portal: CORDIS opendata.

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