Stable CuO with variable valence states cooperated with active Co2+ as catalyst/co-catalyst for oxygen reduction/methanol oxidation reactions

Zhang, Ying; Sun, Yubo; Cai, Zhuang; You, Shijie; Zhang, Yanhong; Yang, Yu; Ren, Nanqi; Zou, Jinlong

doi:10.1016/j.jcis.2021.02.125

Cited by 34 publications

(40 citation statements)

References 66 publications

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“…CuO can also serve as an active support for activate components and then enhances catalytic activity for CH3OH decomposition (Nazir et al, 2020;Ziadi et al, 2020). A synergistic effect has been found between PMs, MOs, and CuO, which accelerates VOC decomposition and CO oxidation Zhang et al, 2021).…”

Section: Accepted Manuscriptmentioning

confidence: 94%

Density Functional Theory plus U Study of Methanol Adsorption and Decomposition on CuO Surfaces with Oxygen Vacancy

Liu

Gong

Shao

et al. 2022

Aerosol Air Qual. Res.

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The adsorption and decomposition of methanol (CH 3OH) and methoxy radical (CH3O) on CuO(111) were investigated via density functional theory calculations with a Hubbard U correction. The configurations and electronic structures of CH3OH and CH3O adsorbed on CuO(111) surfaces were analyzed. CH3OH molecules were preferentially adsorbed on Cu top sites with OMeOH atoms and H−O3C bonds formed simultaneously. Adsorption on Cu3C sites was more stable than on Cu4C sites, with higher binding energy and shorter Cu−OMeOH and H−OCuO bonds. Stable configurations were also achieved with OMeOH−H bond scission, which were only found on Cu3C and O3C sites. On surfaces with oxygen vacancies, adsorption configurations did not change a lot, while there was increased adsorption energy with shorter bond lengths of Cu−OMeOH and H−OCuO and longer bond lengths of H−OMeOH, indicating the formation of oxygen vacancies enhanced the CH3OH adsorption and H−OMeOH bond scission, and thus accelerated CH3OH decomposition. The dissociative adsorption configuration MeOH-ov3C5 had the highest adsorption energy, at −0.71 eV, with the H−OCuO bond length at 1.00 Å and H−OMeOH at 1.70 Å. Compared with CH3OH, the adsorption energy of CH3O was much higher and reached −1.52 eV in MeO-3C2. The Cu−OMeO and C−OMeO bond distances were 1.80 Å and 1.40 Å, respectively, which were both shorter than CH3OH adsorption. The formation of oxygen vacancies significantly enhanced CH3O adsorption, as CH3O moved to a vacancy and bound with three Cu atoms by OMeO, whose adsorption energy increased to −3.19 eV. Other configurations had OMeO binding with two Cu3C atoms and formed a bridging bond, with adsorption energies of −2.53 and −2.61 eV.

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Section: Accepted Manuscriptmentioning

confidence: 94%

Density Functional Theory plus U Study of Methanol Adsorption and Decomposition on CuO Surfaces with Oxygen Vacancy

Liu

Gong

Shao

et al. 2022

Aerosol Air Qual. Res.

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“…The ORR process of CCO-400, CCO-600, CCO-800 is dominated a quasifour-electron reaction pathway and the catalytic mechanism is equivalent to the commercial Pt catalyst [27]. In addition to the catalytic activity of ORR, the cyclic stability of the catalyst is also an important indicator [32,45]. As revealed in Fig.…”

Section: Electrochemical Characterization For Orrmentioning

confidence: 99%

“…PBA have been regarded as the promising precursor and extensively applied in the elds of electrocatalysts [24], water splitting [25], fuel cells [26], Li-ion [27] and metal-air batteries [25,[28][29][30] because of the unique properties. Meanwhile, the PBA with the opening framework structure have been used as the precursor to synthesize transition metal composite oxides [31,32]. Transition metal composite oxides are one of the most promising candidate for non-noble metal ORR catalysts due to the wide potential window, good electrochemical redox activity, outstanding stability and low cost [19,33,34].…”

Section: Introductionmentioning

confidence: 99%

Prussian Blue Analogues Derived CuO@Co3O4 Nanoparticles As Effective Oxygen Reduction Reaction Catalyst For Magnesium-Air Battery

Dong

Wang

et al. 2021

Preprint

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Developing efficient, durable and cost-effective non-noble metal catalysts for oxygen reduction reaction (ORR) is remarkably significant to promote the efficiency and performance of Mg-air battery. Herein, the CuO@Co3O4 nanoparticles are synthesized by a low-cost and simple approach using the CuCo-based prussian blue analogues (PBA) as precursor of pyrolysis at different calcination temperatures. It is found that the CuO@Co3O4 nanoparticles calcined at 600 ºC (CCO-600) have relatively small size and superior ORR performance. The onset potential is 0.889 V and the diffusion limiting current density achieves 6.746 mA·cm-2, as well as prominent stability in 0.1 M KOH electrolyte. The electron transfer number of the CCO-600 is 3.89 under alkaline medium, which manifests that the reaction mechanism of ORR is dominated by 4 e process. It is similar to the commercial Pt. Moreover, the primary Mg-air battery with the CCO-600 as the cathode catalyst has been assembled. The Mg-air battery of the CCO-600 as the cathode catalyst possesses better discharge performance than the CuCo-based PBA. The open circuit voltage of CCO-600 arrives 1.76 V and energy density of 1895.95 mWh/g. This work provides an effective strategy to develop non-noble metal ORR catalyst for the application of metal-air batteries.

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“…During the methanol oxidation reaction (MOR) on anode, the carbon support and active compo-nents usually get corroded easily, causing the migration, agglomeration and shedding of Pt particles. [1] The poisonous intermediates, mainly CO or CO-like species irreversibly accumulate on the surface of electrocatalysts, inhibiting the further methanol electrooxidation reaction and thereby significantly reducing the fuel consumption efficiency and the power density of the fuel cell. [2,3] In order to solve these problems, new catalysts with lower cost and better stability have been researched widely.…”

Section: Introductionmentioning

confidence: 99%

“…The strong metal support interaction between Pt and metal oxides can cause a change in electronic configuration of Pt. [1,20,21] Stronger binding force between Pt and its support can weaken the adsorption of methanol oxidation intermediates and provide more active interfacial sites. [11] Metal oxides with carbon working as the support provide higher specific surface area, which can hinder the agglomeration or shedding of Pt and alleviate the poisoning effects during MOR.…”

Section: Introductionmentioning

confidence: 99%

Enhanced Methanol Electrooxidation Performance Based on Pt Cluster‐Decorated CuCoO₂ on Carbon

et al. 2022

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Nowadays, the high cost and poor durability of commercial catalyst Pt/C for methanol oxidation reaction have impeded the further development of direct methanol fuel cells. Herein, we firstly introduced a delafossite CuCoO2 to act as the support of noble metal Pt. The strong metal support interaction between Pt and CuCoO2, abundant hydroxide species and active sites on the surface of catalyst may be the key factors for enhanced performances of methanol oxidation. Pt‐CuCoO2/C achieved a mass activity of 1.16 A mgPt−1, which obtained 3.02 times enhancement compared with commercial Pt/C (0.38 A mgPt−1). The If/Ib value of Pt‐CuCoO2/C is 1.96, much higher than that of Pt/C (0.76), demonstrating favorable anti‐poisoning ability. After 200 times cycling, Pt‐CuCoO2/C still maintained 77.1 % of its initial activity, exhibiting superior COads intermediate tolerance and stability. Low cost, better performances and stability of Pt‐CuCoO2/C reveal that it can be seen as a hopeful catalyst.

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Stable CuO with variable valence states cooperated with active Co2+ as catalyst/co-catalyst for oxygen reduction/methanol oxidation reactions

Cited by 34 publications

References 66 publications

Density Functional Theory plus U Study of Methanol Adsorption and Decomposition on CuO Surfaces with Oxygen Vacancy

Density Functional Theory plus U Study of Methanol Adsorption and Decomposition on CuO Surfaces with Oxygen Vacancy

Prussian Blue Analogues Derived CuO@Co3O4 Nanoparticles As Effective Oxygen Reduction Reaction Catalyst For Magnesium-Air Battery

Enhanced Methanol Electrooxidation Performance Based on Pt Cluster‐Decorated CuCoO₂ on Carbon

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Stable CuO with variable valence states cooperated with active Co2+ as catalyst/co-catalyst for oxygen reduction/methanol oxidation reactions

Cited by 34 publications

References 66 publications

Density Functional Theory plus U Study of Methanol Adsorption and Decomposition on CuO Surfaces with Oxygen Vacancy

Density Functional Theory plus U Study of Methanol Adsorption and Decomposition on CuO Surfaces with Oxygen Vacancy

Prussian Blue Analogues Derived CuO@Co3O4 Nanoparticles As Effective Oxygen Reduction Reaction Catalyst For Magnesium-Air Battery

Enhanced Methanol Electrooxidation Performance Based on Pt Cluster‐Decorated CuCoO2 on Carbon

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Enhanced Methanol Electrooxidation Performance Based on Pt Cluster‐Decorated CuCoO₂ on Carbon