Investigation of Sr0.7Ca0.3FeO3 oxygen carriers with variable cobalt B-site substitution

Popczun, Eric J.; Jia, Ting; Natesakhawat, Sittichai; Marin, Chris M.; Nguyen‐Phan, Thuy‐Duong; Duan, Yuhua; Lekse, Jonathan W.

doi:10.1002/cssc.202002849

Investigation of Sr_0.7Ca_0.3FeO₃oxygen carriers with variable cobalt B-site substitution

Journal Article · Mon Mar 15 00:00:00 EDT 2021 · ChemSusChem

DOI:https://doi.org/10.1002/cssc.202002849· OSTI ID:1843196

^[1]; Jia, Ting ^[2]; Natesakhawat, Sittichai ^[1]; Marin, Chris M. ^[1]; Nguyen‐Phan, Thuy‐Duong ^[1]; Duan, Yuhua ^[2]; Lekse, Jonathan W. ^[2]

National Energy Technology Lab. (NETL), Pittsburgh, PA (United States); National Energy Technology Lab. (NETL), Pittsburgh, PA (United States). Leidos Research Support Team
National Energy Technology Lab. (NETL), Pittsburgh, PA (United States)

A-site and B-site substitution have shown to be effective methods towards improving well-studied oxygen carrier materials that are vital for emerging gasification technologies. This includes SrFeO₃, which greatly benefits from the inclusion of calcium and/or cobalt, leading to reports regarding Sr_0.8Ca_0.2Fe_0.4Co_0.6O₃ as the best-performing composition. In this work, we investigate systems with higher calcium and lower cobalt contents to lessen the societal and economic burdens of these dual-doped carriers. We perform density functional theory calculations to illustrate the Fe-O bonding and relaxation contributions towards the oxygen vacancy formation energy in Sr_1-xCa_xFe_1-yCo_yO₃ systems (x = 0.1875, 0.25, 0.3125; y = 0.125, 0.25, 0.375, 0.5) and determine that an increased calcium A-site substitution requires the use of less cobalt B-site doping to reach the same oxygen vacancy formation.. Experimentally, we validate these findings by focusing our characterization on bulk Sr_0.7Ca_0.3Fe_1-yCo_yO₃ materials using in situ and ex situ XRD, O2-TPD, and TGA. We find that Sr_0.7Ca_0.3Fe_0.7Co_0.3O₃has a similar O₂ cycling efficiency to Sr_0.8Ca_0.2Fe_0.4Co_0.6O₃ in our experiments. Additionally, both materials are outperformed by Sr_0.7Ca_0.3Fe_1-yCo_yO₃ systems with y = 0-0.10 at 400-500 °C, which cycle 1.5 wt.% O₂ in under ten minutes.

View Accepted Manuscript (DOE)

Research Organization:: National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)

Sponsoring Organization:: USDOE Office of Fossil Energy (FE)

Grant/Contract Number:: 89243318CFE000003

OSTI ID:: 1843196

Alternate ID(s):: OSTI ID: 1804592
OSTI ID: 1783887
OSTI ID: 1890479

Report Number(s):: 84

Journal Information:: ChemSusChem, Journal Name: ChemSusChem Journal Issue: 8 Vol. 14; ISSN 1864-5631

Publisher:: ChemPubSoc EuropeCopyright Statement

Country of Publication:: United States

Language:: English

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Investigation of Sr_0.7Ca_0.3FeO₃oxygen carriers with variable cobalt B-site substitution