Defect Chemistry and Electrical Conductivity of Sm-Doped La1-xSrxCoO3-δ for Solid Oxide Fuel Cells

Mårten Björketun; Ivano Eligio Castelli; Jan Rossmeisl; Thomas Olsen; Kenji Ukai; Michiaki Kato; Gilles Dennler; Karsten Wedel Jacobsen

doi:10.1021/acs.jpcc.7b02608

Defect Chemistry and Electrical Conductivity of Sm-Doped La_1-xSr_xCoO_3-δ for Solid Oxide Fuel Cells

Mårten Björketun, Ivano Eligio Castelli, Jan Rossmeisl, Thomas Olsen, Kenji Ukai, Michiaki Kato, Gilles Dennler, Karsten Wedel Jacobsen

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

We have calculated the electrical conductivity of the solid oxide fuel cell (SOFC) cathode contact material La_1-xSr_xCoO_3-δ at 900 K. Experimental trends in conductivity against x, and against δ for fixed x, are correctly reproduced for x ≲ 0.8. Furthermore, we have studied the chemistry of neutral and charged intrinsic and extrinsic defects (dopants) in La_0.5Sr_0.5CoO₃ and have calculated the conductivity of the doped systems. In particular, we find that doping with Sm on the La site should enhance the conductivity, a prediction that is subsequently confirmed by electrical conductivity measurements.

Original language	English
Journal	The Journal of Physical Chemistry Part C
Volume	121
Issue number	28
Pages (from-to)	15017-15027
Number of pages	11
ISSN	1932-7447
DOIs	https://doi.org/10.1021/acs.jpcc.7b02608
Publication status	Published - 2017

Access to Document

10.1021/acs.jpcc.7b02608

OpenUrl availability

Full text

Cite this

@article{2b2a6ebc16e94a609d332031cb3ed7a8,

title = "Defect Chemistry and Electrical Conductivity of Sm-Doped La1-xSrxCoO3-δ for Solid Oxide Fuel Cells",

abstract = "We have calculated the electrical conductivity of the solid oxide fuel cell (SOFC) cathode contact material La1-xSrxCoO3-δ at 900 K. Experimental trends in conductivity against x, and against δ for fixed x, are correctly reproduced for x ≲ 0.8. Furthermore, we have studied the chemistry of neutral and charged intrinsic and extrinsic defects (dopants) in La0.5Sr0.5CoO3 and have calculated the conductivity of the doped systems. In particular, we find that doping with Sm on the La site should enhance the conductivity, a prediction that is subsequently confirmed by electrical conductivity measurements.",

author = "M{\aa}rten Bj{\"o}rketun and Castelli, {Ivano Eligio} and Jan Rossmeisl and Thomas Olsen and Kenji Ukai and Michiaki Kato and Gilles Dennler and Jacobsen, {Karsten Wedel}",

year = "2017",

doi = "10.1021/acs.jpcc.7b02608",

language = "English",

volume = "121",

pages = "15017--15027",

journal = "The Journal of Physical Chemistry Part C",

issn = "1932-7447",

publisher = "American Chemical Society",

number = "28",

}

TY - JOUR

T1 - Defect Chemistry and Electrical Conductivity of Sm-Doped La1-xSrxCoO3-δ for Solid Oxide Fuel Cells

AU - Björketun, Mårten

AU - Castelli, Ivano Eligio

AU - Rossmeisl, Jan

AU - Olsen, Thomas

AU - Ukai, Kenji

AU - Kato, Michiaki

AU - Dennler, Gilles

AU - Jacobsen, Karsten Wedel

PY - 2017

Y1 - 2017

N2 - We have calculated the electrical conductivity of the solid oxide fuel cell (SOFC) cathode contact material La1-xSrxCoO3-δ at 900 K. Experimental trends in conductivity against x, and against δ for fixed x, are correctly reproduced for x ≲ 0.8. Furthermore, we have studied the chemistry of neutral and charged intrinsic and extrinsic defects (dopants) in La0.5Sr0.5CoO3 and have calculated the conductivity of the doped systems. In particular, we find that doping with Sm on the La site should enhance the conductivity, a prediction that is subsequently confirmed by electrical conductivity measurements.

AB - We have calculated the electrical conductivity of the solid oxide fuel cell (SOFC) cathode contact material La1-xSrxCoO3-δ at 900 K. Experimental trends in conductivity against x, and against δ for fixed x, are correctly reproduced for x ≲ 0.8. Furthermore, we have studied the chemistry of neutral and charged intrinsic and extrinsic defects (dopants) in La0.5Sr0.5CoO3 and have calculated the conductivity of the doped systems. In particular, we find that doping with Sm on the La site should enhance the conductivity, a prediction that is subsequently confirmed by electrical conductivity measurements.

U2 - 10.1021/acs.jpcc.7b02608

DO - 10.1021/acs.jpcc.7b02608

M3 - Journal article

SN - 1932-7447

VL - 121

SP - 15017

EP - 15027

JO - The Journal of Physical Chemistry Part C

JF - The Journal of Physical Chemistry Part C

IS - 28