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4lessCH4 SIGNED

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

Total Cost €

0

EC-Contrib. €

0

Partnership

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 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.

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

Project "4lessCH4" data sheet

The following table provides information about the project.

Coordinator
AGENCIA ESTATAL CONSEJO SUPERIOR DEINVESTIGACIONES CIENTIFICAS 

Organization address
address: CALLE SERRANO 117
city: MADRID
postcode: 28006
website: http://www.csic.es

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

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    AGENCIA ESTATAL CONSEJO SUPERIOR DEINVESTIGACIONES CIENTIFICAS ES (MADRID) coordinator 172˙932.00

Map

 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.

 Publications

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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