Temperature tunability in Sr1−xCaxFeO3−δ for reversible oxygen storage: a computational and experimental study

Popczun, Eric J.; Tafen, De Nyago; Natesakhawat, Sittichai; Marin, Chris M.; Nguyen‐Phan, Thuy‐Duong; Zhou, Yunyun; Alfonso, Dominic; Lekse, Jonathan W.

doi:10.1039/c9ta09307a

Cited by 27 publications

(34 citation statements)

References 48 publications

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“…Similar results have been demonstrated for the addition of cobalt as well [5,19] . However, both substitutions sacrifice the overall amount of oxygen that can be held by the SrFeO 3 lattice to yield these thermodynamic gains, [1,2,4,16–20] but we recognize the important effects that both calcium and cobalt doping can have on SrFeO 3 performance.…”

Section: Introductionsupporting

confidence: 80%

“…We, among others, have detailed the effects of both Ca‐doping and dual‐doping individually in the SrFeO 3 ‐based system [1,2,4,5,16–20] . It has been observed that the addition of Ca can greatly decrease operating temperature by lowering the enthalpy of oxidation [1,20] . Similar results have been demonstrated for the addition of cobalt as well [5,19] .…”

Section: Introductionsupporting

confidence: 58%

“…One of these targets, Sr 1‐ x Ca x Fe 1‐ y Co y O 3 , exhibited promise in recently reported studies by Bulfin et al and Dou et al [16–18] . We, among others, have detailed the effects of both Ca‐doping and dual‐doping individually in the SrFeO 3 ‐based system [1,2,4,5,16–20] . It has been observed that the addition of Ca can greatly decrease operating temperature by lowering the enthalpy of oxidation [1,20] .…”

Section: Introductionmentioning

confidence: 95%

“…Perovskite‐based ABO 3 oxygen carriers have garnered much attention in the past decade for their rapid kinetics and resilience during repeated uptake/release cycling due to the limited structural rearrangement that occurs during oxygen gain/loss [1–24] . The efficacy of a perovskite oxygen carrier is dependent upon the identity of both the A‐ and B‐site elements chosen, with common options of Ba, Sr, Ca, and La on the A‐site, and Fe, Co, and Mn on the B‐site [1–8] . Although this simple delineation includes many commonly studied materials, elemental doping is known to greatly affect both thermodynamic and kinetic properties of these oxygen carriers [1–5,9,10] .…”

Section: Introductionmentioning

confidence: 99%

“…The efficacy of a perovskite oxygen carrier is dependent upon the identity of both the A‐ and B‐site elements chosen, with common options of Ba, Sr, Ca, and La on the A‐site, and Fe, Co, and Mn on the B‐site [1–8] . Although this simple delineation includes many commonly studied materials, elemental doping is known to greatly affect both thermodynamic and kinetic properties of these oxygen carriers [1–5,9,10] . Particularly, these substitutions have overwhelmingly taken place on the A‐site, with much fewer examples demonstrating the effectiveness of B‐site doping.…”

Section: Introductionmentioning

confidence: 99%

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Investigation of Sr_0.7Ca_0.3FeO₃ Oxygen Carriers with Variable Cobalt B‐Site Substitution

et al. 2021

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A‐site and B‐site substitutions are effective methods towards improving well‐studied oxygen carrier materials that are vital for emerging gasification technologies. Such materials include SrFeO3, which greatly benefits from the inclusion of calcium and/or cobalt, and Sr0.8Ca0.2Fe0.4Co0.6O3 has been regarded as the best‐performing composition. In this study, systems with higher calcium and lower cobalt contents are investigated with a view to lessening the societal and economic burdens of these dual‐doped carriers. Density functional theory calculations are performed to illustrate the Fe−O bonding and relaxation contributions to the oxygen vacancy formation energy in Sr1‐xCaxFe1‐yCoyO3 systems (x=0.1875, 0.25, 0.3125; y=0.125, 0.25, 0.375, 0.5) and determine that increased calcium A‐site substitution requires the use of less cobalt B‐site doping to reach the same oxygen vacancy formation. These findings are experimentally validated in situ and ex situ characterization of bulk Sr0.7Ca0.3Fe1‐yCoyO3 materials. Sr0.7Ca0.3Fe0.7Co0.3O3 is found to have similar O2 adsorption/desorption rates and storage capacity to Sr0.8Ca0.2Fe0.4Co0.6O3 in air/N2 cycling experiments. Additionally, both materials are outperformed by Sr0.7Ca0.3Fe1‐yCoyO3 systems with y=0–0.10 at 400–500 °C, which cycle 1.5 wt% O2 in under ten minutes.

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Section: Introductionsupporting

confidence: 80%

Section: Introductionsupporting

confidence: 58%

Section: Introductionmentioning

confidence: 95%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Investigation of Sr_0.7Ca_0.3FeO₃ Oxygen Carriers with Variable Cobalt B‐Site Substitution

et al. 2021

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Highly Selective Oxidative Dehydrogenation of Ethane to Ethylene via Chemical Looping with Oxygen Uncoupling through Structural Engineering of the Oxygen Carrier

Luongo

Donat

Bork

et al. 2022

Advanced Energy Materials

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The oxidative dehydrogenation of ethane (ODH) to produce ethylene offers advantages compared to the industry standard steam cracking, but its industrial application is hindered by costly air separation units needed to supply oxygen. A chemical‐looping‐based oxidative dehydrogenation (CL‐ODH) scheme is presented, in which oxygen carriers supply gaseous oxygen in situ, which then reacts with ethane in the presence of a catalyst at a comparatively low temperature (500 °C). A common challenge of chemical looping processes beyond combustion is to suppress the overoxidation of hydrocarbons to COx to enable high product yields. It is demonstrated that the overoxidation of ethane can be eliminated completely through structural engineering of the perovskite oxygen carrier involving alkali‐metal‐based carbonate coatings, while maintaining the materials’ ability to generate oxygen. Through CL‐ODH, higher ethylene selectivity (≈91%) and yields (≈39%) are achieved compared to the conventional ODH scheme without oxygen carrier and cofeeding air/ethane. 18O‐labeling experiments demonstrate that the carbonate layer functions like a diffusion barrier for ethane while being permeable for oxygen. Both the CL‐ODH scheme and the material design strategy can be extended to other catalytic oxidation or dehydrogenation reactions requiring oxygen at different temperatures, offering enormous potential to intensify such processes.

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Accelerated Perovskite Oxide Development for Thermochemical Energy Storage by a High‐Throughput Combinatorial Approach

Cai

Bektas

Wang

et al. 2023

Advanced Energy Materials

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are highly desirable. [2] The intermittent nature of renewable electricity generated from wind and solar requires considerable compensation from other energy sources, limiting their shares in the power grid. [3][4][5][6] Therefore, energy storage systems, which reduce the temporal and spatial imbalances between electricity generation and consumption, will play a critical role in accelerating the renewable transition. [7] Various energy storage approaches have been proposed to store different forms of energy, such as pumped hydro, batteries, compressed air, flywheels, and thermal energy storage (TES). [8,9] Among these, TES is considered to be one of the most cost-effective approaches to overcoming the intermittency of concentrated solar power. [10,11] In addition, TES can directly utilize the widely available heat resources from industrial processes such as steel mills, glass furnaces, and thermal power plants. [12,13] By 2022, TES has the secondhighest installed capacity of 234 GWh and is expected to reach 800 GWh by 2030. [14] TES technology can be further categorized into three different types, i.e., sensible thermal energy storage (STES), latent thermal energy storage (LTES), and thermochemical energy storage (TCES). At present, the only commercially available TES technology is molten salt-based STES. [15] However, the solidification issue at low temperatures and the instability at high temperatures are the main barriers to the molten salt-based STES. [16] The operating temperature window for molten salt-based STES is typically limited to 200-600 °C, leading to a small energy density of 36-180 kJ kg −1 . [17][18][19] LTES technology relies on the heat uptake and release of phase change materials (PCMs), which can achieve a two to three times larger energy density within a narrower temperature window. [20] To date, medium (100-300 °C)/ high (>300 °C) temperature LTES has yet to be implemented due to various technical challenges such as the high-capital cost, poor thermal conductivity, and equipment corrosion by the liquid PCMs. [21][22][23] Over the past decade, TCES, which stores thermal heat via reversible chemical reactions, has become an important research direction owing to its promise in wide operating temperature ranges and high energy storage density. [24,25] Moreover, since the energy is stored in a chemical form, TCES is capable of long-term, long-distance, and even seasonal energyThe structural and compositional flexibility of perovskite oxides and their complex yet tunable redox properties offer unique optimization opportunities for thermochemical energy storage (TCES). To improve the relatively inefficient and empirical-based approaches, a high-throughput combinatorial approach for accelerated development and optimization of perovskite oxides for TCES is reported here. Specifically, thermodynamic-based screening criteria are applied to the high-throughput density functional theory (DFT) simulation results of over 2000 A/B-site doped SrFeO 3−δ . 61 promising TCES candidates are selected based on th...

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Temperature tunability in Sr_1−xCa_xFeO_3−δ for reversible oxygen storage: a computational and experimental study

Abstract: Sr1−xCaxFeO3−δ oxygen carriers can be designed for specific reaction conditions through selective Ca2+ inclusion at the A-site.

Cited by 27 publications

References 48 publications

Investigation of Sr_0.7Ca_0.3FeO₃ Oxygen Carriers with Variable Cobalt B‐Site Substitution

Investigation of Sr_0.7Ca_0.3FeO₃ Oxygen Carriers with Variable Cobalt B‐Site Substitution

Highly Selective Oxidative Dehydrogenation of Ethane to Ethylene via Chemical Looping with Oxygen Uncoupling through Structural Engineering of the Oxygen Carrier

Accelerated Perovskite Oxide Development for Thermochemical Energy Storage by a High‐Throughput Combinatorial Approach

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Temperature tunability in Sr1−xCaxFeO3−δ for reversible oxygen storage: a computational and experimental study

Abstract: Sr1−xCaxFeO3−δ oxygen carriers can be designed for specific reaction conditions through selective Ca2+ inclusion at the A-site.

Cited by 27 publications

References 48 publications

Investigation of Sr0.7Ca0.3FeO3 Oxygen Carriers with Variable Cobalt B‐Site Substitution

Investigation of Sr0.7Ca0.3FeO3 Oxygen Carriers with Variable Cobalt B‐Site Substitution

Highly Selective Oxidative Dehydrogenation of Ethane to Ethylene via Chemical Looping with Oxygen Uncoupling through Structural Engineering of the Oxygen Carrier

Accelerated Perovskite Oxide Development for Thermochemical Energy Storage by a High‐Throughput Combinatorial Approach

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Temperature tunability in Sr_1−xCa_xFeO_3−δ for reversible oxygen storage: a computational and experimental study

Investigation of Sr_0.7Ca_0.3FeO₃ Oxygen Carriers with Variable Cobalt B‐Site Substitution

Investigation of Sr_0.7Ca_0.3FeO₃ Oxygen Carriers with Variable Cobalt B‐Site Substitution