Advancing oxygen separation: insights from experimental and computational analysis of La0.7Ca0.3Co0.3Fe0.6M0.1O3−δ (M = Cu, Zn) oxygen transport membranes

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Autoren

  • Guoxing Chen
  • Wenmei Liu
  • Marc Widenmeyer
  • Xiao Yu
  • Zhijun Zhao
  • Songhak Yoon
  • Ruijuan Yan
  • Wenjie Xie
  • Armin Feldhoff
  • Gert Homm
  • Emanuel Ionescu
  • Maria Fyta
  • Anke Weidenkaff

Externe Organisationen

  • Fraunhofer-Einrichtung für Wertstoffkreisläufe und Ressourcenstrategie (IWKS)
  • Paul Scherrer Institut (PSI)
  • Technische Universität Darmstadt
  • Universität Stuttgart
  • Rheinisch-Westfälische Technische Hochschule Aachen (RWTH)
Forschungs-netzwerk anzeigen

Details

OriginalspracheEnglisch
Aufsatznummer62
Seitenumfang13
FachzeitschriftFrontiers of Chemical Science and Engineering
Jahrgang18
Ausgabenummer6
Frühes Online-Datum15 Apr. 2024
PublikationsstatusVeröffentlicht - Juni 2024

Abstract

In this study, perovskite-type La0.7Ca0.3Co0.3 Fe0.6M0.1O3−δ (M = Cu, Zn) powders were synthesized using a scalable reverse co-precipitation method, presenting them as novel materials for oxygen transport membranes. The comprehensive study covered various aspects including oxygen permeability, crystal structure, conductivity, morphology, CO2 tolerance, and long-term regenerative durability with a focus on phase structure and composition. The membrane La0.7Ca0.3Co0.3Fe0.6Zn0.1O3−δ exhibited high oxygen permeation fluxes, reaching up to 0.88 and 0.64 mL·min−1cm−2 under air/He and air/CO2 gradients at 1173 K, respectively. After 1600 h of CO2 exposure, the perovskite structure remained intact, showcasing superior CO2 resistance. A combination of first principles simulations and experimental measurements was employed to deepen the understanding of Cu/Zn substitution effects on the structure, oxygen vacancy formation, and transport behavior of the membranes. These findings underscore the potential of this highly CO2-tolerant membrane for applications in high-temperature oxygen separation. The enhanced insights into the oxygen transport mechanism contribute to the advancement of next-generation membrane materials. (Figure presented.)

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Advancing oxygen separation: insights from experimental and computational analysis of La0.7Ca0.3Co0.3Fe0.6M0.1O3−δ (M = Cu, Zn) oxygen transport membranes. / Chen, Guoxing; Liu, Wenmei; Widenmeyer, Marc et al.
in: Frontiers of Chemical Science and Engineering, Jahrgang 18, Nr. 6, 62, 06.2024.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

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@article{0b30694423e44344b172cbc3fc997f7f,
title = "Advancing oxygen separation: insights from experimental and computational analysis of La0.7Ca0.3Co0.3Fe0.6M0.1O3−δ (M = Cu, Zn) oxygen transport membranes",
abstract = "In this study, perovskite-type La0.7Ca0.3Co0.3 Fe0.6M0.1O3−δ (M = Cu, Zn) powders were synthesized using a scalable reverse co-precipitation method, presenting them as novel materials for oxygen transport membranes. The comprehensive study covered various aspects including oxygen permeability, crystal structure, conductivity, morphology, CO2 tolerance, and long-term regenerative durability with a focus on phase structure and composition. The membrane La0.7Ca0.3Co0.3Fe0.6Zn0.1O3−δ exhibited high oxygen permeation fluxes, reaching up to 0.88 and 0.64 mL·min−1cm−2 under air/He and air/CO2 gradients at 1173 K, respectively. After 1600 h of CO2 exposure, the perovskite structure remained intact, showcasing superior CO2 resistance. A combination of first principles simulations and experimental measurements was employed to deepen the understanding of Cu/Zn substitution effects on the structure, oxygen vacancy formation, and transport behavior of the membranes. These findings underscore the potential of this highly CO2-tolerant membrane for applications in high-temperature oxygen separation. The enhanced insights into the oxygen transport mechanism contribute to the advancement of next-generation membrane materials. (Figure presented.)",
keywords = "energy barrier, formation energy, membrane, oxygen ions diffusion, oxygen permeation, oxygen vacancy, perovskite",
author = "Guoxing Chen and Wenmei Liu and Marc Widenmeyer and Xiao Yu and Zhijun Zhao and Songhak Yoon and Ruijuan Yan and Wenjie Xie and Armin Feldhoff and Gert Homm and Emanuel Ionescu and Maria Fyta and Anke Weidenkaff",
note = "Funding Information: G.C., M.W., and A.W. kindly thank the Federal Ministry of Education and Research for financial support during PiCK project (Grant No. 03SFK2S3B). G.C., G.H., and A.W. kindly thank the Hydrogen performance center in Hesse for financial support during the Green materials for Green H2 project. M.W. and A.W. kindly thank the Federal Ministry of Education and Research for financial support during the NexPlas project (Grant No. 03SF0618B). The simulations presented in this work were performed on the computational resource For HLR II funded by the Ministry of Science, Research and the Arts Baden-W\u00FCrttemberg and the Deutsche Forschungsgemeinschaft. W.L. and M.F. are thankful for being granted access to these facilities. ",
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month = jun,
doi = "10.1007/s11705-024-2421-5",
language = "English",
volume = "18",
journal = "Frontiers of Chemical Science and Engineering",
issn = "2095-0179",
publisher = "Higher Education Press",
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TY - JOUR

T1 - Advancing oxygen separation

T2 - insights from experimental and computational analysis of La0.7Ca0.3Co0.3Fe0.6M0.1O3−δ (M = Cu, Zn) oxygen transport membranes

AU - Chen, Guoxing

AU - Liu, Wenmei

AU - Widenmeyer, Marc

AU - Yu, Xiao

AU - Zhao, Zhijun

AU - Yoon, Songhak

AU - Yan, Ruijuan

AU - Xie, Wenjie

AU - Feldhoff, Armin

AU - Homm, Gert

AU - Ionescu, Emanuel

AU - Fyta, Maria

AU - Weidenkaff, Anke

N1 - Funding Information: G.C., M.W., and A.W. kindly thank the Federal Ministry of Education and Research for financial support during PiCK project (Grant No. 03SFK2S3B). G.C., G.H., and A.W. kindly thank the Hydrogen performance center in Hesse for financial support during the Green materials for Green H2 project. M.W. and A.W. kindly thank the Federal Ministry of Education and Research for financial support during the NexPlas project (Grant No. 03SF0618B). The simulations presented in this work were performed on the computational resource For HLR II funded by the Ministry of Science, Research and the Arts Baden-W\u00FCrttemberg and the Deutsche Forschungsgemeinschaft. W.L. and M.F. are thankful for being granted access to these facilities.

PY - 2024/6

Y1 - 2024/6

N2 - In this study, perovskite-type La0.7Ca0.3Co0.3 Fe0.6M0.1O3−δ (M = Cu, Zn) powders were synthesized using a scalable reverse co-precipitation method, presenting them as novel materials for oxygen transport membranes. The comprehensive study covered various aspects including oxygen permeability, crystal structure, conductivity, morphology, CO2 tolerance, and long-term regenerative durability with a focus on phase structure and composition. The membrane La0.7Ca0.3Co0.3Fe0.6Zn0.1O3−δ exhibited high oxygen permeation fluxes, reaching up to 0.88 and 0.64 mL·min−1cm−2 under air/He and air/CO2 gradients at 1173 K, respectively. After 1600 h of CO2 exposure, the perovskite structure remained intact, showcasing superior CO2 resistance. A combination of first principles simulations and experimental measurements was employed to deepen the understanding of Cu/Zn substitution effects on the structure, oxygen vacancy formation, and transport behavior of the membranes. These findings underscore the potential of this highly CO2-tolerant membrane for applications in high-temperature oxygen separation. The enhanced insights into the oxygen transport mechanism contribute to the advancement of next-generation membrane materials. (Figure presented.)

AB - In this study, perovskite-type La0.7Ca0.3Co0.3 Fe0.6M0.1O3−δ (M = Cu, Zn) powders were synthesized using a scalable reverse co-precipitation method, presenting them as novel materials for oxygen transport membranes. The comprehensive study covered various aspects including oxygen permeability, crystal structure, conductivity, morphology, CO2 tolerance, and long-term regenerative durability with a focus on phase structure and composition. The membrane La0.7Ca0.3Co0.3Fe0.6Zn0.1O3−δ exhibited high oxygen permeation fluxes, reaching up to 0.88 and 0.64 mL·min−1cm−2 under air/He and air/CO2 gradients at 1173 K, respectively. After 1600 h of CO2 exposure, the perovskite structure remained intact, showcasing superior CO2 resistance. A combination of first principles simulations and experimental measurements was employed to deepen the understanding of Cu/Zn substitution effects on the structure, oxygen vacancy formation, and transport behavior of the membranes. These findings underscore the potential of this highly CO2-tolerant membrane for applications in high-temperature oxygen separation. The enhanced insights into the oxygen transport mechanism contribute to the advancement of next-generation membrane materials. (Figure presented.)

KW - energy barrier

KW - formation energy

KW - membrane

KW - oxygen ions diffusion

KW - oxygen permeation

KW - oxygen vacancy

KW - perovskite

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U2 - 10.1007/s11705-024-2421-5

DO - 10.1007/s11705-024-2421-5

M3 - Article

AN - SCOPUS:85190500929

VL - 18

JO - Frontiers of Chemical Science and Engineering

JF - Frontiers of Chemical Science and Engineering

SN - 2095-0179

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ER -

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