Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Patrick R. L. Keating"'
Publikováno v:
The Journal of Physical Chemistry C. 120:23430-23440
The doping of CeO2 with trivalent cations is a common technique for enhancing ionic conductivity in electrolytes for solid oxide fuel cell applications. However, the local defect structure in these materials is yet to be fully explored. Furthermore,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9bfa28bee75fe34aa2c817fe6441f710
https://doi.org/10.1021/acs.jpcc.6b08118
https://doi.org/10.1021/acs.jpcc.6b08118
Publikováno v:
Chemical Physics Letters. 608:239-243
The oxygen states on CeO 2 surfaces were investigated with DFT + U calculations. The results reveal the variable nature of the oxygen states, including the never before modeled intrinsic peroxide surface defect. Under O-rich conditions, the peroxide
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0fc546827630c05a6e679d80a1617a41
https://doi.org/10.1016/j.cplett.2014.05.094
https://doi.org/10.1016/j.cplett.2014.05.094
Publikováno v:
J. Mater. Chem. C. 1:1093-1098
Due to its high dielectric constant, large band gap, and very small lattice mismatch with Si, CeO2 has been proposed as a promising candidate high-κ dielectric material. The performance of CeO2 as a dielectric material, however, is severely limited
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::350268c5d0990de888fb7cef73bb8b34
https://doi.org/10.1039/c2tc00385f
https://doi.org/10.1039/c2tc00385f
Autor:
Patrick R. L. Keating, Natasha M. Galea, David O. Scanlon, Graeme W. Watson, Benjamin J. Morgan
Publikováno v:
The Journal of Physical Chemistry C. 116:2443-2452
We have investigated the formation of intrinsic defects in CeO2 using density functional theory with the generalized gradient approximation (GGA) corrected for on-site Coulombic interactions (GGA+U). We employed an ab initio fitting procedure to dete
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5da715e13067a39caa4747a264e54c53
https://doi.org/10.1021/jp2080034
https://doi.org/10.1021/jp2080034
Publikováno v:
Journal of Physics: Condensed Matter. 21:405502
Intrinsic ferromagnetism in CeO(2) is a source of controversy in the literature and has been linked to the excess electrons left over upon oxygen vacancy formation on Ce sites neighbouring the vacancy. A recent theoretical study (Han et al 2009 Phys.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d13c6f7c1f04134a31fce3adc86fc660
https://doi.org/10.1088/0953-8984/21/40/405502
https://doi.org/10.1088/0953-8984/21/40/405502