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MXENES AS THERMAL CATALYSTS. EXPLOITING THE IDEAL PROPERTIES OF CHAMELEONIC MATERIALS

Objective

MXenes were discovered in 2011 and, since then, have attracted attention as electro- and photocatalysts. In contrast, the ideal properties of MXenes as thermal catalysts remain almost unexplored, there being a very limited number of studies. The main reasons for this apparent lack of interest are: i) the shift in catalysis from heat as energy to overcome activation barriers to green electricity or sunlight, ii) the limited number of commercial MXenes and iii) the relative novelty of these materials. However, MXenes offer unique compositional range, structural flexibility and material properties that can make them disruptive catalysts. These properties include: i) prediction of the catalytic properties by DFT calculations, ii) possibility of metal alloying resulting in multimetallic MXenes, iii) absence or presence of surface terminal groups of various elements, including OH, -O- and halides, iv) control of lateral size from 2D to 0D forming MXene dots, v) strong metal support interaction making possible single atom catalysis. The aim of DISCOVERY is fill the current gap, applying MXenes to reactions in which their structure appears to be optimal according to the nature of active sites (Ti-OH or V=O) and DFT predictions (strong CO2 adsorption on surface-free MXenes). Specifically DISCOVERY will study two reaction types characteristic of some active sites such as titanol (alkene epoxidation) and vanadyl (CH4 oxidation to CH3OH and oxidative alkane dehydrogenation) or of metal nanoparticles (hydrogenation of CO2 and N2 and CH4 decomposition to H2 and carbon). DISCOVERY will not be a trial and error check of new catalysts, since it will be led be predictive DFT calculations and artificial intelligence tools. Extensive use of XAS (to monitor the changes in the metal elements during the reaction) and vibrational spectroscopy (detection of reaction intermediates) will shed light on the reaction mechanism.

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Topic(s)

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HORIZON-ERC - HORIZON ERC Grants

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Call for proposal

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(opens in new window) ERC-2023-ADG

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Host institution

UNIVERSITAT POLITECNICA DE VALENCIA
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 2 500 000,00
Address
CAMINO DE VERA SN EDIFICIO 3A
46022 VALENCIA
Spain

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Region
Este Comunitat Valenciana Valencia/València
Activity type
Higher or Secondary Education Establishments
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Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

€ 2 500 000,00

Beneficiaries (1)

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