In:
ECS Meeting Abstracts, The Electrochemical Society, Vol. MA2017-01, No. 33 ( 2017-04-15), p. 1598-1598
Abstract:
In this presentation, using first-principles calculation, the function of samarium (Sm) 4f states and Sm-perturbed O 2p states in enhancing the sulfur tolerance of Sm-doped CeO 2 was elucidated. We find that the sulfur tolerance of Sm-doped CeO 2 is closely related to the modification of O 2p states by the strong interaction between Sm 4f and O 2p states. In particular, the availability of unoccupied O 2p states near the Fermi level is responsible for enhancing the sulfur tolerance of Sm-doped CeO 2 compared to the pure CeO 2 [1]. To better understand the importance of unoccupied O 2 p states, the effect of various 4 f shell dopants (Pr, Pm, and Eu) on the activity of surface lattice oxygen are also investigated. This work also hints on the importance of properly engineering the activity of oxygen ion in CeO 2 -based materials by adding dopant in order to develop sulfur-tolerant solid oxide fuel cell anode. [1] DH Lim, HS Kim, SP Yoon, J Han, CW Yoon, SH Choi, SW Nam, and HC Ham, Physical Chemistry Chemical Physics 16 (22), 10727-10733, (2014)
Type of Medium:
Online Resource
ISSN:
2151-2043
DOI:
10.1149/MA2017-01/33/1598
Language:
Unknown
Publisher:
The Electrochemical Society
Publication Date:
2017
detail.hit.zdb_id:
2438749-6
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