Ab initio studies of metal-doped ceria for Solid Oxide Fuel Cells Anode Electrocatalysts
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Ab initio studies of metal-doped ceria for Solid Oxide Fuel Cells Anode Electrocatalysts Michael J. Janik Dept. of Chemical Engineering Pennsylvania State University Incorporation of noble metals in the low energy surface of ceria can provide enhanced activity for methane activation. Single Pd atoms are stable incorporated in the surface over certain T, P O2 ranges and are more active for C-H dissociation. Pd doped into the CeO 2 surface provides a more reducible metal center, enhancing 0 500 1000 1500 2000 -30 -20 -10 0 10 [ATM] ) Log(P 2 O Tem perature [K ] Pd* Pd/inc Pd-CeO 2 (111) CeO 2 (111) can reconstruct about incorporated Pd to offer the Pd 4+ , d 6 metal a stable octahedral
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Ab initio studies of metal-doped ceria for Solid Oxide Fuel Cells Anode Electrocatalysts Michael J. Janik Dept. of Chemical Engineering Pennsylvania State University. - PowerPoint PPT Presentation
Transcript of Ab initio studies of metal-doped ceria for Solid Oxide Fuel Cells Anode Electrocatalysts
Ab initio studies of metal-doped ceria for Solid Oxide Fuel Cells Anode Electrocatalysts
Michael J. JanikDept. of Chemical EngineeringPennsylvania State University
Incorporation of noble metals in the low energy surface of ceria can provide enhanced activity for methane activation. Single Pd atoms are stable incorporated in the surface over certain T, PO2 ranges and are more active for C-H dissociation.
Pd doped into the CeO2
surface provides a more reducible metal center, enhancing C-H activation
0
500
1000
1500
2000
-30 -20 -10 0 10
[ATM] )Log(P2O
Tem
per
atu
re [
K]
Pd*
Pd/inc
Pd-CeO2(111)
CeO2(111) can reconstruct about incorporated Pd to offer the Pd4+, d6 metal a stable octahedral coordination
