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Transition metal carbides as efficient catalysts for methane partial oxidation

Total Cost €


EC-Contrib. €






 TMC4MPO project word cloud

Explore the words cloud of the TMC4MPO project. It provides you a very rough idea of what is the project "TMC4MPO" about.

prepare    ta    discussed    consisting    exhibited    zr    experimental    screening    carbides    theory    catalyst    gas    oxidation    affordable    catalysts    density    pt    chemicals    partial    period    precious    computational    bond    25    conduct    direct    rh    materials    stability    h2    collaborators    greenhouse    energy    metals    ti    mo    activation    performance    endothermic    synthesis    ni    serve    au    envisions    computationally    carbon    chemical    mpo    big    exhibits    descriptor    functional    hf    yield    mixture    steam    alternative    employed    co    prediction    superheated    times    reactions    climate    suggest    saving    valuable    outstanding    selectivity    tmcs    temperatures    kinetic    overcome    imperative    predictions    time    monte    atmosphere    dioxide    natural    route    carlo    reforming    metal    gathered    amount    nb    human    conversion    transition    cu    transformation    frameworks    economically    tm    correlate    dataset    pd    methane    reaction   

Project "TMC4MPO" 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-2019
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2021
 Duration (year-month-day) from 2021-03-01   to  2023-02-28


Take a look of project's partnership.

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


 Project objective

Methane is a particularly problematic greenhouse gas as its impact is 25 times greater than carbon dioxide over a 100-year period. Human activity has increased the amount of methane in the atmosphere, contributing to climate change. Therefore, there is an imperative for the transformation of methane into useful chemicals. At this time, the most economically available route for the conversion of methane into more valuable chemicals is via synthesis gas, a mixture of CO and H2. The only large-scale process for natural gas conversion involves a reaction known as methane-steam reforming. However, it is an endothermic process that requires high operating temperatures. Methane partial oxidation (MPO) is a promising energy saving alternative because it does not require the use of superheated steam. A major goal is to find a catalyst that exhibits high activity, selectivity and stability at the relevant reaction conditions. This project envisions the computational prediction of novel MPO catalysts that overcome this challenges by computationally screening a large set of materials consisting of precious metals (Rh, Pd, Pt, Au) and more affordable metals (Co, Ni, Cu) supported on transition metal carbides (TMCs, TM = Ti, Zr, Hf, V, Nb, Ta, Mo, W). These type of catalysts have exhibited outstanding performance in other chemical reactions in the past 5 years. To this end, state-of-the-art Density Functional Theory and Kinetic Monte Carlo frameworks will be employed to provide direct predictions of activity, selectivity, stability and yield for the most promising catalysts at relevant reaction conditions. Moreover, the large amount of results gathered from this project will serve as a big dataset to conduct descriptor analysis, and will suggest key properties that correlate well with their activity for C-H and O-H bond activation. The results obtained will be discussed with our experimental collaborators, who will prepare a selected set of catalysts based on my findings.

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The information about "TMC4MPO" are provided by the European Opendata Portal: CORDIS opendata.

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lastchecktime (2022-12-01 16:54:53) correctly updated