dc.contributor.author | WATSON, GRAEME | en |
dc.date.accessioned | 2013-07-23T15:49:52Z | |
dc.date.available | 2013-07-23T15:49:52Z | |
dc.date.issued | 2013 | en |
dc.date.submitted | 2013 | en |
dc.identifier.citation | Bishop, SR, Marrocchelli, D, Fang, W, Amezawa, K, Yashiro, K, Watson, GW, Reducing the chemical expansion coefficient in ceria by addition of zirconia, Energy & Environmental Science, 6, 4, 2013, 1142-1146 | en |
dc.identifier.other | Y | en |
dc.identifier.uri | http://hdl.handle.net/2262/66748 | |
dc.description | PUBLISHED | en |
dc.description.abstract | For thev first time, the role of isovalent Zr substitution in cerium oxide on the non-stoichiometry induced dilation (chemical expansion) was
investigated. Chemical expansion was derived experimentally using
HTXRD, dilatometry, and TGA measurements on Pr
0.1
Zr
0.4
Ce
0.5
O
1.95
d
and computationally with DFTcalculations on Zr
0.5
Ce
0.5
O
2
d
.Though
Zr was found to increase the reducibility and the corresponding
chemical expansion of ceria in the studied range, the relationship
between chemical expansion and non-stoichiometry (the chemical
expansion coe
ffi
cient) was signi
fi
cantly smaller (54% less) than that
observed in ceria, and consistent with predictions from the authors'
previous work. The origin of the reduced chemical expansion coef-
fi
cient, associated with a larger contraction of the lattice around
oxygen vacancies, is explained using DFT calculations and corrobo-
rated with prior investigations of enhanced reducibility of ceria
?
zirconia. Additionally, implications of this discovery for solid oxide
fuel cells and heterogeneous catalyst systems are also discussed. | en |
dc.description.sponsorship | SRB acknowledges support from the Advanced Low Carbon
Technology Research and Development Program (ALCA) funded
by JST, Japan; WPI-I2CNER supported by the World Premier
International Research Initiative (WPI), MEXT, Japan; and the
Basic Energy Sciences, U. S. Department of Energy (award DE-
SC0002633). DM wishes to thank the Government of Ireland for
an EMPOWER Postdoctoral Fellowship and the Trinity Centre
for High Performance Computing for computing time. GWW
would like to thank SFI for funding (grant numbers 08/RFP/
MTR1044 and 09/RFP/MTR2274). The SFI/HEA Irish Centre for
High-End Computing (allocations tcche026b and tcche031b) is
also thanked for the provision of computational facilities and
support. The authors would like to thank Profs. Bilge Yildiz
(MIT) and Harry L Tuller (MIT) for stimulating discussions and
previous work on chemical expansion in ceria | en |
dc.format.extent | 1142-1146 | en |
dc.language.iso | en | en |
dc.relation.ispartofseries | Energy & Environmental Science | en |
dc.relation.ispartofseries | 6 | en |
dc.relation.ispartofseries | 4 | en |
dc.rights | Y | en |
dc.subject | the role of isovalent Zr substitution in cerium oxide | en |
dc.subject.lcsh | the role of isovalent Zr substitution in cerium oxide | en |
dc.title | Reducing the chemical expansion coefficient in ceria by addition of zirconia | en |
dc.type | Journal Article | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsor | U.S. Department of Energy | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.type.supercollection | scholarly_publications | en |
dc.type.supercollection | refereed_publications | en |
dc.identifier.peoplefinderurl | http://people.tcd.ie/watsong | en |
dc.identifier.rssinternalid | 85900 | en |
dc.identifier.doi | http://dx.doi.org/10.1039/c3ee23917a | en |
dc.contributor.sponsorGrantNumber | tcche031b | en |
dc.contributor.sponsorGrantNumber | tcche026b | en |
dc.contributor.sponsorGrantNumber | DE-SC0002633 | en |
dc.contributor.sponsorGrantNumber | 09/RFP/MTR2274 | en |
dc.contributor.sponsorGrantNumber | 08/RFP/MTR1044 | en |