Browse
Submit Data
Databases
API
Help

Dataset Information

34 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Covalency-reinforced oxygen evolution reaction catalyst.

ABSTRACT: The oxygen evolution reaction that occurs during water oxidation is of considerable importance as an essential energy conversion reaction for rechargeable metal-air batteries and direct solar water splitting. Cost-efficient ABO3 perovskites have been studied extensively because of their high activity for the oxygen evolution reaction; however, they lack stability, and an effective solution to this problem has not yet been demonstrated. Here we report that the Fe(4+)-based quadruple perovskite CaCu3Fe4O12 has high activity, which is comparable to or exceeding those of state-of-the-art catalysts such as Ba(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-?) and the gold standard RuO2. The covalent bonding network incorporating multiple Cu(2+) and Fe(4+) transition metal ions significantly enhances the structural stability of CaCu3Fe4O12, which is key to achieving highly active long-life catalysts.

SUBMITTER: Yagi S

PROVIDER: S-EPMC4579779 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Covalency-reinforced oxygen evolution reaction catalyst.

Yagi Shunsuke S Yamada Ikuya I Tsukasaki Hirofumi H Seno Akihiro A Murakami Makoto M Fujii Hiroshi H Chen Hungru H Umezawa Naoto N Abe Hideki H Nishiyama Norimasa N Mori Shigeo S

Nature communications 20150910

The oxygen evolution reaction that occurs during water oxidation is of considerable importance as an essential energy conversion reaction for rechargeable metal-air batteries and direct solar water splitting. Cost-efficient ABO3 perovskites have been studied extensively because of their high activity for the oxygen evolution reaction; however, they lack stability, and an effective solution to this problem has not yet been demonstrated. Here we report that the Fe(4+)-based quadruple perovskite Ca ...[more]

PMID: 26354832

Similar Datasets

5f Covalency Synergistically Boosting Oxygen Evolution of UCoO<sub>4</sub> Catalyst.

Project description:Electronic structure modulation among multiple metal sites is key to the design of efficient catalysts. Most studies have focused on regulating 3d transition-metal active ions through other d-block metals, while few have utilized f-block metals. Herein, we report a new class of catalyst, namely, UCoO4 with alternative CoO6 and 5f-related UO6 octahedra, as a unique example of a 5f-covalent compound that exhibits enhanced electrocatalytic oxygen evolution reaction (OER) activity because of the presence of the U 5f-O 2p-Co 3d network. UCoO4 exhibits a low overpotential of 250 mV at 10 mA cm-2, surpassing other unitary cobalt-based catalysts ever reported. X-ray absorption spectroscopy revealed that the Co2+ ion in pristine UCoO4 was converted to high-valence Co3+/4+, while U6+ remained unchanged during the OER, indicating that only Co was the active site. Density functional theory calculations demonstrated that the OER activity of Co3+/4+ was synergistically enhanced by the covalent bonding of U6+-5f in the U 5f-O 2p-Co 3d network. This study opens new avenues for the realization of electronic structure manipulation via unique 5f involvement.

| S-EPMC8759065 | biostudies-literature

Reaction pathways for oxygen evolution promoted by cobalt catalyst.

Project description:The in-depth understanding of the molecular mechanisms regulating the water oxidation catalysis is of key relevance for the rationalization and the design of efficient oxygen evolution catalysts based on earth-abundant transition metals. Performing ab initio DFT+U molecular dynamics calculations of cluster models in explicit water solution, we provide insight into the pathways for oxygen evolution of a cobalt-based catalyst (CoCat). The fast motion of protons at the CoCat/water interface and the occurrence of cubane-like Co-oxo units at the catalyst boundaries are the keys to unlock the fast formation of O-O bonds. Along the resulting pathways, we identified the formation of Co(IV)-oxyl species as the driving ingredient for the activation of the catalytic mechanism, followed by their geminal coupling with O atoms coordinated by the same Co. Concurrent nucleophilic attack of water molecules coming directly from the water solution is discouraged by high activation barriers. The achieved results suggest also interesting similarities between the CoCat and the Mn4Ca-oxo oxygen evolving complex of photosystem II.

| S-EPMC3912752 | biostudies-literature

An Unconventional Iron Nickel Catalyst for the Oxygen Evolution Reaction.

Project description:The oxygen evolution reaction (OER) is a key process that enables the storage of renewable energies in the form of chemical fuels. Here, we describe a catalyst that exhibits turnover frequencies higher than state-of-the-art catalysts that operate in alkaline solutions, including the benchmark nickel iron oxide. This new catalyst is easily prepared from readily available and industrially relevant nickel foam, and it is stable for many hours. Operando X-ray absorption spectroscopic data reveal that the catalyst is made of nanoclusters of γ-FeOOH covalently linked to a γ-NiOOH support. According to density functional theory (DFT) computations, this structure may allow a reaction path involving iron as the oxygen evolving center and a nearby terrace O site on the γ-NiOOH support oxide as a hydrogen acceptor.

| S-EPMC6439451 | biostudies-literature

Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction.

Project description:Achieving active and stable oxygen evolution reaction (OER) in acid media based on single-atom catalysts is highly promising for cost-effective and sustainable energy supply in proton electrolyte membrane electrolyzers. Here, we report an atomically dispersed Ru1-N4 site anchored on nitrogen-carbon support (Ru-N-C) as an efficient and durable electrocatalyst for acidic OER. The single-atom Ru-N-C catalyst delivers an exceptionally intrinsic activity, reaching a mass activity as high as 3571?A gmetal-1 and turnover frequency of 3348 O2 h-1 with a low overpotential of 267?mV at a current density of 10?mA?cm-2. The catalyst shows no evident deactivation or decomposition after 30-hour operation in acidic environment. Operando synchrotron radiation X-ray absorption spectroscopy and infrared spectroscopy identify the dynamic adsorption of single oxygen atom on Ru site under working potentials, and theoretical calculations demonstrate that the O-Ru1-N4 site is responsible for the high OER activity and stability.

| S-EPMC6813412 | biostudies-literature

FeS2/C Nanowires as an Effective Catalyst for Oxygen Evolution Reaction by Electrolytic Water Splitting.

Project description:Electrolytic water splitting with evolution of both hydrogen (HER) and oxygen (OER) is an attractive way to produce clean energy hydrogen. It is critical to explore effective, but low-cost electrocatalysts for the evolution of oxygen (OER) owing to its sluggish kinetics for practical applications. Fe-based catalysts have advantages over Ni- and Co-based materials because of low costs, abundance of raw materials, and environmental issues. However, their inefficiency as OER catalysts has caused them to receive little attention. Herein, the FeS2/C catalyst with porous nanostructure was synthesized with rational design via the in situ electrochemical activation method, which serves as a good catalytic reaction in the OER process. The FeS2/C catalyst delivers overpotential values of only 291 mV and 338 mV current densities of 10 mA/cm2 and 50 mA/cm2, respectively, after electrochemical activation, and exhibits staying power for 15 h.

| S-EPMC6829240 | biostudies-literature

Cation insertion to break the activity/stability relationship for highly active oxygen evolution reaction catalyst.

Project description:The production of hydrogen at a large scale by the environmentally-friendly electrolysis process is currently hampered by the slow kinetics of the oxygen evolution reaction (OER). We report a solid electrocatalyst α-Li2IrO3 which upon oxidation/delithiation chemically reacts with water to form a hydrated birnessite phase, the OER activity of which is five times greater than its non-reacted counterpart. This reaction enlists a bulk redox process during which hydrated potassium ions from the alkaline electrolyte are inserted into the structure while water is oxidized and oxygen evolved. This singular charge balance process for which the electrocatalyst is solid but the reaction is homogeneous in nature allows stabilizing the surface of the catalyst while ensuring stable OER performances, thus breaking the activity/stability tradeoff normally encountered for OER catalysts.

| S-EPMC7069983 | biostudies-literature

Insights into Correlation among Surface-Structure-Activity of Cobalt-Derived Pre-Catalyst for Oxygen Evolution Reaction.

Project description:Rational design of unique pre-catalysts for highly active catalysts toward catalyzing the oxygen evolution reaction (OER) is a great challenge. Herein, a Co-derived pre-catalyst that allows gradual exposure of CoOOH that acts as the active center for OER catalysis is obtained by both phosphate ion surface functionalization and Mo inner doping. The obtained catalyst reveals an excellent OER activity with a low overpotential of 265 mV at a current density of 10 mA cm-2 and good durability in alkaline electrolyte, which is comparable to the majority of Co-based OER catalysts. Specifically, the surface functionalization produces lots of Co-PO4 species with oxygen vacancies which can trigger the surface self-reconstruction of pre-catalyst for a favorable OER reaction. Density functional theory calculations reveal that the Mo doping optimizes adsorption-free energy of *OOH formation and thus accelerates intrinsic electrocatalytic activity. Expanding on these explorations, a series of transition metal oxide pre-catalysts are obtained using this general design strategy. The work offers a fundamental understanding toward the correlation among surface-structure-activity for the pre-catalyst design.

| S-EPMC7055576 | biostudies-literature

Porous Organic Polymer-Derived Carbon Composite as a Bimodal Catalyst for Oxygen Evolution Reaction and Nitrophenol Reduction.

Project description:Ethylene diamine-based porous organic polymer (EPOP) was synthesized, carbonized at different temperatures, and characterized. The successful formation of the triazine polymer was confirmed by Fourier-transform infrared spectroscopy, 13C, and 15N cross-polarization magic angle spinning solid-state NMR. The two-dimensional layered architecture and graphitic nature of the samples resembled that of nitrogen-doped amorphous carbon, as confirmed by Raman, powder X-ray diffraction, and transmission electron microscopy measurements. The catalytic activity of these materials toward nitrophenol reduction and electrocatalytic activity toward oxygen evolution reaction (OER) were systematically evaluated in detail. Electrocatalytic activity toward oxygen evolution reaction was systematically evaluated by chronoamperometry and linear sweep voltammetry. Results clearly demonstrate that all of these catalysts exhibit good OER activity and excellent stability. Among all catalysts, EPOP-700 showed better OER activity, as reflected by its onset potential and current density, comparable with that of the metal-based OER catalysts and better than that of metal-free catalysts. Further, their catalytic activity toward the reduction of 4-nitrophenol to 4-aminophenol was tested with NaBH4; although all of these catalysts showed good catalytic activity; EPOP-800 displayed better catalytic activity.

| S-EPMC6644422 | biostudies-literature

On the role of microkinetic network structure in the interplay between oxygen evolution reaction and catalyst dissolution.

Project description:Understanding the pathways of oxygen evolution reaction (OER) and the mechanisms of catalyst degradation is of essential importance for developing efficient and stable OER catalysts. Experimentally, a close coupling between OER and catalyst dissolution on metal oxides is reported. In this work, it is analysed how the microkinetic network structure of a generic electrocatalytic cycle, in which a common intermediate causes catalyst dissolution, governs the interplay between electrocatalytic activity and stability. Model discrimination is possible based on the analysis of incorporated microkinetic network structures and the comparison to experimental data. The derived concept is used to analyse the coupling of OER and catalyst dissolution on rutile and reactively sputtered Iridium oxides. For rutile Iridium oxide, the characteristic activity and stability behaviour can be well described by a mono-nuclear, adsorbate evolution mechanism and the chemical type of both competing dissolution and rate-determining OER-step. For the reactively sputtered Iridium oxide surface, experimentally observed characteristics can be captured by the assumption of an additional path via a low oxidation state intermediate, which explains the observed characteristic increase in OER over dissolution selectivity with potential by the competition between electrochemical re-oxidation and chemical dissolution.

| S-EPMC7445268 | biostudies-literature

Atomically Dispersed Pentacoordinated-Zirconium Catalyst with Axial Oxygen Ligand for Oxygen Reduction Reaction.

Project description:Single-atom catalysts (SACs), as promising alternatives to Pt-based catalysts, suffer from the limited choice of center metals and low single-atom loading. Here, we report a pentacoordinated Zr-based SAC with nontrivial axial O ligands (denoted O-Zr-N-C) for oxygen reduction reaction (ORR). The O ligand downshifts the d-band center of Zr and confers Zr sites with stable local structure and proper adsorption capability for intermediates. Consequently, the ORR performance of O-Zr-N-C prominently surpasses that of commercial Pt/C, achieving a half-wave potential of 0.91 V vs. reversible hydrogen electrode and outstanding durability (92 % current retention after 130-hour operation). Moreover, the Zr site shows good resistance towards aggregation, enabling the synthesis of Zr-based SAC with high loading (9.1 wt%). With the high-loading catalyst, the zinc-air battery (ZAB) delivers a record-high power density of 324 mW cm-2 among those of SAC-based ZABs.

| S-EPMC9543759 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data