- #1
adisen
- 1
- 0
I have two related questions on PbTiO3 perovskite structure and chemical environment.
The Pb K-egde Xanes data reveals that Pb is in a mixed valence state of Pb4+ and Pb2+. However in literature Pb is claimed to be in Pb2+ state. The Pb 6s2 electrons hybridize with the O 2p electrons to form strong covalent bonding which results in the relative displacement of Pb cage with respect to the O-octahedron. This results in increase ferroelectric properties of PbTiO3.
However the question is that in the covalent state of the Pb2+ will it appear as Pb4+ state in the Pb K-edge? The reason argued here is that the Pb will lose the 6s2 electrons to form the bond and hence appear to be Pb4+. Hence the argument placed by this pool of thought is from the EXAFS data what appears to be Pb4+ is actually the covalently bonded Pb2+ while what appears to be Pb2+ is actually the ionic type Pb2+.
What is the oxidation state of Pb and Ti in PbTiO3 ?
Comments on this issue will be appreciated.
The Pb K-egde Xanes data reveals that Pb is in a mixed valence state of Pb4+ and Pb2+. However in literature Pb is claimed to be in Pb2+ state. The Pb 6s2 electrons hybridize with the O 2p electrons to form strong covalent bonding which results in the relative displacement of Pb cage with respect to the O-octahedron. This results in increase ferroelectric properties of PbTiO3.
However the question is that in the covalent state of the Pb2+ will it appear as Pb4+ state in the Pb K-edge? The reason argued here is that the Pb will lose the 6s2 electrons to form the bond and hence appear to be Pb4+. Hence the argument placed by this pool of thought is from the EXAFS data what appears to be Pb4+ is actually the covalently bonded Pb2+ while what appears to be Pb2+ is actually the ionic type Pb2+.
What is the oxidation state of Pb and Ti in PbTiO3 ?
Comments on this issue will be appreciated.
Last edited: