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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 €

EC-Contrib. €

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.

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

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 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.	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

List of publications.
year	authors and title	journal	last update
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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