Computational Study of CO 2 Methanation on Ru/CeO 2 Model Surfaces: On the Impact of Ru Doping in CeO 2

The Sabatier reaction (CO 2 + H 2 → CH 4 + H 2 O) can contribute to renewable energy storage by converting green H 2 with waste CO 2 into CH 4 . Highly dispersed Ru on CeO 2 represents an active catalyst for the CO 2 methanation. Here, we investigated the support effect by considering a single atom of Ru and a small Ru cluster on CeO 2 (Ru 6 /CeO 2 ). The influence of doping CeO 2 with Ru was investigated as well (Ru 6 /RuCe x –1 O 2 x –1 ). Density functional theory was used to compute the reaction energy diagrams. A single Ru atom on CeO 2 can only break one of the C–O bonds in adsorbed CO 2... Mehr ...

Volltext
Verfasser: Lulu Chen
Ivo A. W. Filot
Emiel J. M. Hensen
Dokumenttyp: Text
Erscheinungsdatum: 2023
Schlagwörter: Biophysics / Biochemistry / Cell Biology / Genetics / Neuroscience / Developmental Biology / Cancer / Mental Health / Environmental Sciences not elsewhere classified / Chemical Sciences not elsewhere classified / Information Systems not elsewhere classified / renewable energy storage / lower activation energy / density functional theory / cooh surface intermediate / 11 – 21 / reaction energy diagrams / small ru cluster / highly dispersed ru / surface containing step / direct c – / 6 </ sub / 4 </ sub / converting green h / single ru atom / 2 </ sub / active methanation catalysts / c – / single atom / x </ / ru step / edge surface / sabatier reaction / sub >< / ru nanoparticles / ru doping / extended ru / support effect / stronger competition / strong h / model surfaces / methanation rate / methanation activity / low due / hco dissociation / h coverage / edge sites / computational study / closer proximity / break one
Sprache: unknown
Permalink: https://search.fid-benelux.de/Record/base-26880999
Datenquelle: BASE; Originalkatalog
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Link(s) : https://doi.org/10.1021/acscatal.3c03742.s001