Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 114, Issue 15, Pages 7128-7131Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp100938v
Keywords
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Funding
- Korean government (the Ministry of Education, Science, and Technology, MEST) [2009-059348]
- MEST [20090082472]
- National Research Foundation of Korea (NRF) [20090094025]
- National Research Foundation of Korea [2009-0082471, 2009-0094025] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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We scrutinized the reaction mechanism of CO2 methanation catalyzed by a Pd-MgO/SiO2 catalyst. Density functional theory studies showed that MgO and Pd nanoparticles play completely different roles. We found that MgO initiates the reaction by binding a CO2 molecule, forming a magnesium carbonate species on the surface, and that a supply of atomic H is essential for further hydrogenation of magnesium carbonate to methane. A CO(2)temperature-programmed desorption study gives credence to our findings on the role of MgO. Our results confirm the bifunctional mechanism of CO2 methanation by a Pd-MgO/SiO2 catalyst.
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