Heat capacities and thermodynamic functions of neodymia and samaria doped ceria

Grace Neilsen; Peter F. Rosen; Matthew S. Dickson; Marko Popovic; Jacob Schliesser; Lee D. Hansen; Alexandra Navrotsky; Brian F. Woodfield

doi:10.1016/j.jct.2021.106454

Heat capacities and thermodynamic functions of neodymia and samaria doped ceria

Grace Neilsen, Peter F. Rosen, Matthew S. Dickson, Marko Popovic, Jacob Schliesser, Lee D. Hansen, Alexandra Navrotsky, Brian F. Woodfield

Molecular Sciences, School of (SMS)

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Doped ceria materials are ionic conductors currently under investigation for use in solid oxide fuel cells, catalysts, and other applications. We measured the heat capacity of several doped ceria samples from 1.8 K to 300 K to better understand their physical properties. The samples used in this study were either singly doped with Nd or Sm, or co-doped with both Nd and Sm. This work complements an earlier detailed study of their heats of formation and ionic conductivity. Here we provide the thermodynamic functions based on theoretical fits of our heat capacity measurements including C_p,m°, Δ₀^TS_m°, Δ₀^TH_m°, and Φ_m°. We also detected splitting of nuclear magnetic states, which appeared as an upturn in the heat capacity below 10 K. We observed this phenomenon in all samples and provide calculations of the local magnetic field causing the splitting.

Original language	English (US)
Article number	106454
Journal	Journal of Chemical Thermodynamics
Volume	158
DOIs	https://doi.org/10.1016/j.jct.2021.106454
State	Published - Jul 2021

Keywords

Cerium oxide
Heat capacity
Hyperfine field splitting
SOFC
Schottky anomaly

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
General Materials Science
Physical and Theoretical Chemistry

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10.1016/j.jct.2021.106454

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@article{e50227a9d445439bad1273802a6e15a3,

title = "Heat capacities and thermodynamic functions of neodymia and samaria doped ceria",

abstract = "Doped ceria materials are ionic conductors currently under investigation for use in solid oxide fuel cells, catalysts, and other applications. We measured the heat capacity of several doped ceria samples from 1.8 K to 300 K to better understand their physical properties. The samples used in this study were either singly doped with Nd or Sm, or co-doped with both Nd and Sm. This work complements an earlier detailed study of their heats of formation and ionic conductivity. Here we provide the thermodynamic functions based on theoretical fits of our heat capacity measurements including Cp,m°, Δ0TSm°, Δ0THm°, and Φm°. We also detected splitting of nuclear magnetic states, which appeared as an upturn in the heat capacity below 10 K. We observed this phenomenon in all samples and provide calculations of the local magnetic field causing the splitting.",

keywords = "Cerium oxide, Heat capacity, Hyperfine field splitting, SOFC, Schottky anomaly",

author = "Grace Neilsen and Rosen, {Peter F.} and Dickson, {Matthew S.} and Marko Popovic and Jacob Schliesser and Hansen, {Lee D.} and Alexandra Navrotsky and Woodfield, {Brian F.}",

note = "Funding Information: The heat capacity work was supported by U.S. Department of Energy under grant DE-SC0016446. Data analysis based on recent measurements of enthalpies of transformation was supported by the U.S. Department of Energy under grant DE-SC0016573. Synthesis of additional samples and microprobe analyses at UC Davis were supported by the U.S. Department of Energy under grant DE-FG02-03ER46053. Publisher Copyright: {\textcopyright} 2021 Elsevier Ltd",

year = "2021",

month = jul,

doi = "10.1016/j.jct.2021.106454",

language = "English (US)",

volume = "158",

journal = "Journal of Chemical Thermodynamics",

issn = "0021-9614",

publisher = "Academic Press Inc.",

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T1 - Heat capacities and thermodynamic functions of neodymia and samaria doped ceria

AU - Neilsen, Grace

AU - Rosen, Peter F.

AU - Dickson, Matthew S.

AU - Popovic, Marko

AU - Schliesser, Jacob

AU - Hansen, Lee D.

AU - Navrotsky, Alexandra

AU - Woodfield, Brian F.

N1 - Funding Information: The heat capacity work was supported by U.S. Department of Energy under grant DE-SC0016446. Data analysis based on recent measurements of enthalpies of transformation was supported by the U.S. Department of Energy under grant DE-SC0016573. Synthesis of additional samples and microprobe analyses at UC Davis were supported by the U.S. Department of Energy under grant DE-FG02-03ER46053. Publisher Copyright: © 2021 Elsevier Ltd

PY - 2021/7

Y1 - 2021/7

N2 - Doped ceria materials are ionic conductors currently under investigation for use in solid oxide fuel cells, catalysts, and other applications. We measured the heat capacity of several doped ceria samples from 1.8 K to 300 K to better understand their physical properties. The samples used in this study were either singly doped with Nd or Sm, or co-doped with both Nd and Sm. This work complements an earlier detailed study of their heats of formation and ionic conductivity. Here we provide the thermodynamic functions based on theoretical fits of our heat capacity measurements including Cp,m°, Δ0TSm°, Δ0THm°, and Φm°. We also detected splitting of nuclear magnetic states, which appeared as an upturn in the heat capacity below 10 K. We observed this phenomenon in all samples and provide calculations of the local magnetic field causing the splitting.

AB - Doped ceria materials are ionic conductors currently under investigation for use in solid oxide fuel cells, catalysts, and other applications. We measured the heat capacity of several doped ceria samples from 1.8 K to 300 K to better understand their physical properties. The samples used in this study were either singly doped with Nd or Sm, or co-doped with both Nd and Sm. This work complements an earlier detailed study of their heats of formation and ionic conductivity. Here we provide the thermodynamic functions based on theoretical fits of our heat capacity measurements including Cp,m°, Δ0TSm°, Δ0THm°, and Φm°. We also detected splitting of nuclear magnetic states, which appeared as an upturn in the heat capacity below 10 K. We observed this phenomenon in all samples and provide calculations of the local magnetic field causing the splitting.

KW - Cerium oxide

KW - Heat capacity

KW - Hyperfine field splitting

KW - SOFC

KW - Schottky anomaly

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Heat capacities and thermodynamic functions of neodymia and samaria doped ceria

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