Nickel-substituted Ba0.5Sr0.5Co0.8Fe0.2O3−δ: a highly active perovskite oxygen electrode for reduced-temperature solid oxide fuel cells

Li, Lü; Yang, Hua; Gao, Zhenghui; Zhang, Yaping; Dong, Feifei; Yang, Guangming; Ni, Meng; Lin, Zhan

doi:10.1039/c9ta02548k

“…7,35 In addition to this, recent experimental works on perovskites attribute the high performance of oxygen exchange to low ASR. 9,13,14 Hence, to estimate the SOFC performance, developing a calculable relationship between Evac and ASR data of perovskite-based materials is useful. Typically, the oxygen atom vacancies in perovskites facilitate a fast diffusion of oxygen ions.…”

Section: Toc Graphicsmentioning

confidence: 99%

High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes

Tezsevin

¹

,

Sanden²,

Er³

2021

Preprint

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It is a present-day challenge to design and develop oxygen permeable solid oxide fuel cell (SOFC) electrode and electrolyte materials that operate at low temperatures. Herein, by performing high-throughput density functional theory (HT-DFT) calculations, oxygen vacancy formation energy, Evac, data for a pool of all-inorganic ABO3 and AI0.5AII0.5BO3 cubic perovskites is generated. Using Evac data of perovskites, the area-specific resistance (ASR) data, which is related to both oxygen reduction reaction activity and selective oxygen ion conductivity of materials, is calculated. Screening a total of 270 chemical compositions, 31 perovskites are identified as candidates with properties that are in between state-of-the-art SOFC cathode and oxygen permeation components. In addition, an intuitive approach to estimate Evac and ASR data of complex perovskites solely by using the easy-to-access data of simple perovskites is shown, which is expected to boost future explorations on perovskite material search space for genuinely diverse energy applications.

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“…Recent research shows that LSCF offers a good compromise between oxygen transport and thermomechanical features, thereby capacitating its operation at relatively lower temperatures than LSM. 12,13,[15][16][17] A third perovskite SOFC electrode material that attracted recent research interest is Ba0.5Sr0.5Co0.75Fe0.25O3-δ (BSCF), which shows both superior oxygen permeation and power density at low temperature. 11,13,15,18 However, BSCF suffers from material stability issues that adversely affect its practical use in SOFC applications.…”

Section: Toc Graphicsmentioning

confidence: 99%

“…12,13,[15][16][17] A third perovskite SOFC electrode material that attracted recent research interest is Ba0.5Sr0.5Co0.75Fe0.25O3-δ (BSCF), which shows both superior oxygen permeation and power density at low temperature. 11,13,15,18 However, BSCF suffers from material stability issues that adversely affect its practical use in SOFC applications. 15,19,20 This study aims to find perovskites with promising SOFC electrode material features that are predicted to be in between the two stateof-the-art materials of LSCF and BSCF.…”

Section: Toc Graphicsmentioning

confidence: 99%

“…Enabling the operation at low temperatures, thereupon improving the overall energy efficiency of SOFCs, is a present-day challenge. [10][11][12][13][14] La1-xSrxMnO3-δ (LSM) and La1-xSrxCo1-yFeyO3-δ (LSCF) are two families of perovskites that are widely used as cathode materials in SOFCs. The former is a broadly studied SOFC cathode material, whereas the latter is a more recently investigated perovskite for SOFCs.Recent research shows that LSCF offers a good compromise between oxygen transport and thermomechanical features, thereby capacitating its operation at relatively lower temperatures than LSM.…”

mentioning

confidence: 99%

“…7,35 In addition to this, recent experimental works on perovskites attribute the high performance of oxygen exchange to low ASR. 9,13,14 Hence, to estimate the SOFC performance, developing a calculable relationship between Evac and ASR data of perovskite-based materials is useful. Typically, the oxygen atom vacancies in perovskites facilitate a fast diffusion of oxygen ions.…”

mentioning

confidence: 99%

See 2 more Smart Citations

High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes

Tezsevin

¹

,

Sanden²,

Er³

2021

Preprint

0

View full text Add to dashboard Cite

It is a present-day challenge to design and develop oxygen permeable solid oxide fuel cell (SOFC) electrode and electrolyte materials that operate at low temperatures. Herein, by performing high-throughput density functional theory (HT-DFT) calculations, oxygen vacancy formation energy, Evac, data for a pool of all-inorganic ABO3 and AI0.5AII0.5BO3 cubic perovskites is generated. Using Evac data of perovskites, the area-specific resistance (ASR) data, which is related to both oxygen reduction reaction activity and selective oxygen ion conductivity of materials, is calculated. Screening a total of 270 chemical compositions, 31 perovskites are identified as candidates with properties that are in between state-of-the-art SOFC cathode and oxygen permeation components. In addition, an intuitive approach to estimate Evac and ASR data of complex perovskites solely by using the easy-to-access data of simple perovskites is shown, which is expected to boost future explorations on perovskite material search space for genuinely diverse energy applications.

show abstract

A Highly Efficient and Robust Bifunctional Perovskite‐Type Air Electrode with Triple‐Conducting Behavior for Low‐Temperature Solid Oxide Fuel Cells

Ma

¹

,

Ye

²

,

Zhang

³

et al. 2022

Adv Funct Materials

Self Cite

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Cobalt-rich materials have generally been recognized as the prevailing candidates of cathodes for low-temperature solid oxide fuel cells (LT-SOFCs, 400-600 °C). Regrettably, their instability and high cost are the major concerns for future commercialization. In response to these drawbacks, here, an A-sitedeficient low-cobalt-containing perovskite-type oxide, Ba 0.95 Fe 0.7 Co 0.2 Sc 0.1 O 3-δ (BFCS0.95), as an efficient bifunctional electrode with triple-conducting (H + |O 2− |e − ) nature for oxygen-ion conducting SOFCs (O-SOFCs) and proton conducting SOFCs (H-SOFCs) is proposed. BFCS0.95 electrode exhibits impressive versatility in catalyzing oxygen reduction reaction, i.e., ultralow area-specific resistances (0.072 Ω cm 2 for O-SOFCs and 0.4 Ω cm 2 for H-SOFCs at 550 °C, respectively), extraordinarily high power outputs (1092 mW cm −2 for O-SOFCs and 419 mW cm −2 for H-SOFCs at 550 °C, respectively), excellent long-term durability (>100 h for O-SOFCs and H-SOFCs at 600 °C), remarkable reversibility between pure air and CO 2 -containing air, and superior resistance against temperature fluctuations. The combined experimental and computational studies elucidate the roles of A-site deficient state and triple-conducting behavior, both of which are essential to overall electrochemical performance. Low-cobalt-containing feature also makes BFCS0.95 cathode economically competitive among all cobalt-containing analogues. Overall, the finding paves a highly efficient route to develop bifunctional electrodes for LT-SOFCs toward a sustainable energy future.

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Nickel-substituted Ba_0.5Sr_0.5Co_0.8Fe_0.2O_3−δ: a highly active perovskite oxygen electrode for reduced-temperature solid oxide fuel cells

Abstract: Nickel substitution contributes to sustained cubic-symmetry perovskite structure and fast oxygen kinetics of Ba0.5Sr0.5Co0.7Fe0.2Ni0.1O3−δ cathode material, enabling superior electrochemical activity and durability for ORR.

Cited by 30 publications

References 50 publications

High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes

High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes

High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes

A Highly Efficient and Robust Bifunctional Perovskite‐Type Air Electrode with Triple‐Conducting Behavior for Low‐Temperature Solid Oxide Fuel Cells

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