Ce 4f U=5 and intermetallic bonding with Rh

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Sonny · #1 Post by **Sonny** » Thu Jul 14, 2011 7:07 am

Hello;

I have a system of Rh10 cluster on reduced ceria(111).
The interfacial Rh is transferring to the Ce and the 4f states are becoming occupied.
The top atom of the cluster is distorting markedly one bond is elongated to breaking.
Could this be due to the hybridisation of Rh4d with the 'heavy' Ce4f state.
ie: the hydrid electron is 'heavy' and perturbs the 4d band causing distortion in the cluster.
There is not such distortion with Pd10 cluster, nor is there charge transfer or occupied 4f states.

thanks;

Sonny

rgc · #2 Post by **rgc** » Thu Jul 28, 2011 3:21 pm

hi sonny,

a clean electron transfer from an adsorbed metal to a Ce 4f level in ceria(111) can also occur. see eg

Redox behavior of the model catalyst Pd/CeOx/Pt(111).Journal of Physical Chemistry C 112, 10918 (2008).

Electronic charge transfer between ceria surfaces and gold adatoms: a GGA+U investigation.Physical Chemistry Chemical Physics 11, 5246 (2009).