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Rational Design of Ceria-Supported Non-Noble Metal Nanoalloys as Catalysts for the Selective Direct Conversion of Methane to Methanol

Total Cost €


EC-Contrib. €






 4lessCH4 project word cloud

Explore the words cloud of the 4lessCH4 project. It provides you a very rough idea of what is the project "4lessCH4" about.

theory    mechanism    power    nanoparticle    strategy    ones    disentagle    chemicals    molecular    model    greenhouse    alloying    computational    chemistry    activate    perhaps    experimental    basic    converting    interactions    hydrogen    catalysts    noble    reducible    emissions    ch4    metal    composition    powder    natural    avoiding    potent    ch3oh    fuel    powders    feedstock    co    bond    mitigating    expensive    optimization    sources    structure    benefit    synergistic    size    behavior    metallic    nano    nature    water    calculations    oxidic    oxide    activation    suppressing    gases    experiment    methodology    reformed    efficient    consists    obtain    reaction    structured    close    principles    gas    employing    too    direct    parts    oxygen    rational    manmade    atomic    methanol    holy    selectivity    dehydrogenation    complete    methane    screening    temperature    route    first    data    sought    vehicles    grail    reactants    co2    effect    dmtm    nanoalloys    performed   

Project "4lessCH4" data sheet

The following table provides information about the project.


Organization address
address: CALLE SERRANO 117
city: MADRID
postcode: 28006

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 Spain [ES]
 Total cost 172˙932 €
 EC max contribution 172˙932 € (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-ST
 Starting year 2019
 Duration (year-month-day) from 2019-09-01   to  2021-08-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 


 Project objective

Methane (CH4) is a potent greenhouse gas that can come from many sources, both natural and manmade. The low temperature direct route to converting methane to methanol (CH3OH) a key feedstock for the production of chemicals that can also fuel vehicles or be reformed to produce hydrogen has long been a holy grail. The efficient use of CH4 emissions require catalysts that can activate the first C-H bond while suppressing complete dehydrogenation and avoiding CO/CO2 formation. The potential benefit of finding non-expensive and efficient catalysts for directly converting methane to methanol (DMTM), using only molecular oxygen, and perhaps water, is significant and new catalysts are being sought. This project aims to the rational design of such catalysts based on non-noble metal nanoalloys/reducible oxide systems. There are key challenges to be addressed, namely, to improve reactants activation, to obtain an understanding of the reaction mechanism and to improve selectivity. Real powder catalysts are too complex to enable us to disentagle the effect of the nature of the metallic phase (composition, structure, nanoparticle size), the role of the oxidic support and of metal-support interactions, and the role of alloying and water in controlling selectivity. The strategy here consists of creating and investigating model systems, which include essential parts of the real ones, but can still be studied at the atomic level using state-of-the-art computational methodology in chemistry. Calculations will be performed in close collaboration with experimental work employing well-defined model systems as well as powders. The synergistic power of theory and experiment is crucial to design new or improved catalysts. Theory will not only be used to explain experimental data, but also for pre-screening the behavior of catalysts. The goal is to develop basic principles for the rational design and optimization of nano-structured catalysts for mitigating greenhouse gases.


year authors and title journal last update
List of publications.
2019 G. S. Otero, P. G. Lustemberg, F. Prado, M. V. Ganduglia-Pirovano
Relative Stability of Near-Surface Oxygen Vacancies at the CeO 2 (111) Surface upon Zirconium Doping
published pages: 625-638, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.9b09433
The Journal of Physical Chemistry C 124/1 2020-01-30

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