CO2 reduction on a nanostructured La0.5Ba0.5CoO3 perovskite: Electrochemical characterization and DFT calculations

Cardona, Jhon Faber Zapata; Sacanell, Joaquín; Barral, María Andrea; Vildosola, V.; Viva, Federico A.

doi:10.1016/j.jcou.2022.101973

Cited by 4 publications

(5 citation statements)

References 37 publications

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“…Density Functional Theory (DFT) can be utilized to study the effects of doping on the electronic properties (for instance, changes in conductivity caused by A-site doping [33]) or on the atomic structure (changes in lattice parameters, atomic distances, and angles), which are of particular interest, as exsolution requires atoms to diffuse through the bulk to the surface [18]. Thermodynamic quantities, like enthalpies of formation [34], energy barriers during diffusion [35], defect formation energies [36], or energetics of adsorption processes (especially relevant for heterogeneously catalyzed gas phase reactions) [37], can be calculated as well. Moreover, DFT studies are a useful tool for the proposal of possible mechanisms and/or reaction pathways, for instance, Huang et al investigated the effect of exsolved Ni nanoparticles on La-based perovskite surfaces on water-gas shift reactions [38].…”

Section: Theoretical Modelingmentioning

confidence: 99%

Perovskite-Type Oxides as Exsolution Catalysts in CO2 Utilization

Ruh,

Schrenk,

Berger

et al. 2023

Encyclopedia

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Perovskite-type oxides (ABO3) are a highly versatile class of materials. They are compositionally flexible, as their constituents can be chosen from a wide range of elements across the periodic table with a vast number of possible combinations. This flexibility enables the tuning of the materials’ properties by doping the A- and/or B-sites of the base structure, facilitating the application-oriented design of materials. The ability to undergo exsolution under reductive conditions makes perovskite-type oxides particularly well-suited for catalytic applications. Exsolution is a process during which B-site elements migrate to the surface of the material where they form anchored and finely dispersed nanoparticles that are crucially important for obtaining a good catalytic performance, while the perovskite base provides a stable support. Recently, exsolution catalysts have been investigated as possible materials for CO2 utilization reactions like reverse water–gas shift reactions or methane dry reforming.

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Section: Theoretical Modelingmentioning

confidence: 99%

Perovskite-Type Oxides as Exsolution Catalysts in CO2 Utilization

Ruh,

Schrenk,

Berger

et al. 2023

Encyclopedia

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“…Therefore, the specific element combinations in perovskites also help us to explore some efficient but inexpensive catalysts for CO 2 RR. In the study of Federico A's team [56], a perovskite material with A-site substitution (La 0.5 Ba 0.5 CoO 3 ) was prepared via the microwave irradiation method by using polycarbonate as the template. In this work, perovskites in a cubic structure, along with some other phases, were synthesized.…”

Section: Perovskite-based Catalysts For Co 2 Rr Favoring C 1 Productsmentioning

confidence: 99%

Recent Progress on Perovskite-Based Electrocatalysts for Efficient CO2 Reduction

Wu,

Zhang,

Zhan

et al. 2023

Molecules

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An efficient carbon dioxide reduction reaction (CO2RR), which reduces CO2 to low-carbon fuels and high-value chemicals, is a promising approach for realizing the goal of carbon neutrality, for which effective but low-cost catalysts are critically important. Recently, many inorganic perovskite-based materials with tunable chemical compositions have been applied in the electrochemical CO2RR, which exhibited advanced catalytic performance. Therefore, a timely review of this progress, which has not been reported to date, is imperative. Herein, the physicochemical characteristics, fabrication methods and applications of inorganic perovskites and their derivatives in electrochemical CO2RR are systematically reviewed, with emphasis on the structural evolution and product selectivity of these electrocatalysts. What is more, the current challenges and future directions of perovskite-based materials regarding efficient CO2RR are proposed, to shed light on the further development of this prospective research area.

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“…22,23 For example, Hwang et al 22 reported that LaCoO 3 can produce methane at low overpotentials of −0.6 to −0.8 V vs RHE, while maintaining structural stability during eCO 2 RR. In a different work, Cardona et al 23 reported that La 0.5 Ba 0.5 CoO 3 can produce CO (preferentially on the (011) surface plane) with faradic efficiency of 85% at −1.2 V vs SHE and formate (preferentially on the (011) and (110) surface planes) with faradic efficiency of 30% at −0.9 V vs SHE.…”

mentioning

confidence: 99%

“…From a generic perspective, perovskites are usually stable in terms of the structure, [24][25][26][27][28] with the possibility of tuning the A (here, La) and B (here, T M ) sites with suitable elements, [13][14][15][16][17][21][22][23] leading to a variation of the features/properties; which can be interesting to explore in the context of eCO 2 RR. Furthermore, the effects of usage of different set-ups and electrolytes for conducting electrochemical CO 2 reduction with such electrocatalysts also need to be looked into in the practical context.…”

mentioning

confidence: 99%

“…However, the present literature base contains only a very few reports concerning the usage of T M -oxides, in particular, non-Cu containing La-based T M -oxides, sans doping/modification, and those having perovskite structure (LaT M O 3 ), as electrocatalysts for CO 2 reduction under ambient conditions. 22,23 For example, Hwang et al 22 reported that LaCoO 3 can produce methane at low overpotentials of −0.6 to −0.8 V vs RHE, while maintaining structural stability during eCO 2 RR. In a different work, Cardona et al 23 reported that La 0.5 Ba 0.5 CoO 3 can produce CO (preferentially on the (011) surface plane) with faradic efficiency of 85% at −1.2 V vs SHE and formate (preferentially on the (011) and (110) surface planes) with faradic efficiency of 30% at −0.9 V vs SHE.…”

mentioning

confidence: 99%

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La-based Transition Metal Oxide Perovskites as Electrocatalysts for Electrochemical Carbon Dioxide Reduction

Barman,

Kobi,

Sarkar

2024

ECS Adv.

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We report here the feasibility of using LaTMO3-based perovskites (TM = Co, Cr, Fe, Mn, Ni, i.e., non-Cu 3d transition metals) as electrocatalysts for electrochemical CO2 reduction reaction (eCO2RR). Phase pure LaTMO3s, having TM-ions in multiple oxidation states for all and O-defects for LaFeO3 and LaNiO3, have been synthesized and tested as electrocatalysts for eCO2RR in fuel cell type set-up. The above characteristics of the La-TM-oxides have been found to influence the current densities during eCO2RR at the various applied potentials, with favorable effects of the presence of O-defects (as for LaFeO3 and LaNiO3). Upon eCO2RR, both C1 and C2 liquid products have been obtained, including ethanol, with a partial current density of -2.66 mA/cm2 at -1.2 V vs. RHE (for LaFeO3). The types of products and the faradic efficiencies have been found to depend on the TM-ion present (in the LaTMO3); in particular, the oxidation state(s), associated O-defect(s) and electronic conductivity. Furthermore, the electrocatalysts have been found to be stable during eCO2RR. Overall, the present work highlights the potential of La-TM-oxide perovskites for usage as stable electrocatalysts for eCO2RR, and also provides insights into the proper selection of ‘TM’ and reaction conditions for obtaining the desired product(s).

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CO2 reduction on a nanostructured La0.5Ba0.5CoO3 perovskite: Electrochemical characterization and DFT calculations

Cited by 4 publications

References 37 publications

Perovskite-Type Oxides as Exsolution Catalysts in CO2 Utilization

Perovskite-Type Oxides as Exsolution Catalysts in CO2 Utilization

Recent Progress on Perovskite-Based Electrocatalysts for Efficient CO2 Reduction

La-based Transition Metal Oxide Perovskites as Electrocatalysts for Electrochemical Carbon Dioxide Reduction

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